data_1vek_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 1vek _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 ' 28' ' ' ALA . . . . . 0.484 ' HB2' ' CA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -41.09 139.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 4.6 mp0 -75.93 -24.81 55.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -46.8 19.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.455 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 9.2 mt -67.28 -36.16 75.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.457 ' CG1' HG23 ' A' ' 37' ' ' VAL . 16.8 t -74.7 -50.89 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -53.76 -30.8 46.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.455 ' NE2' ' CG2' ' A' ' 58' ' ' VAL . 36.2 mt-30 -75.59 -46.46 31.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.406 ' CD2' ' HG3' ' A' ' 62' ' ' MET . 12.1 mt -66.92 -49.51 65.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.478 ' CG2' ' HA ' ' A' ' 43' ' ' GLN . 83.9 t -55.03 -19.7 4.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.128 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.65 -40.33 11.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.968 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.469 ' HE3' ' CG1' ' A' ' 58' ' ' VAL . 12.9 mtm -55.65 -27.47 50.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.83 39.21 0.66 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.438 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 50.6 m-85 -117.43 177.3 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 111.006 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -94.12 118.82 32.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.478 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 51.0 tt0 -38.58 -58.53 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 tp -40.34 -56.21 2.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.577 ' CD2' HG13 ' A' ' 74' ' ' ILE . 6.3 m170 -64.5 -50.5 67.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.58 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.438 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 73.3 m -45.64 -35.75 4.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 108.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.484 ' CA ' ' HB2' ' A' ' 28' ' ' ALA . 86.4 mt-30 -70.72 -59.81 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' ALA . 26.7 mttt -49.86 -58.37 5.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.579 ' CB ' ' CD1' ' A' ' 65' ' ' LEU . . . -39.28 -70.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -44.06 -59.83 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.431 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 55.2 mt -46.86 -55.15 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.4 ' OD1' ' NE1' ' A' ' 64' ' ' TRP . 3.9 m-80 -48.78 -31.38 6.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 50' ' ' ALA . 18.4 p -110.23 26.09 11.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 44.24 28.57 0.29 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.962 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.439 ' ND2' ' N ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER 54.77 37.89 29.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' THR . . . -55.45 -39.58 70.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.65 150.26 10.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.469 ' CG1' ' HE3' ' A' ' 39' ' ' MET . 71.9 t -47.54 -41.58 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.447 0.734 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 6.4 pt-20 -61.58 -45.24 94.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.5 mt-10 -61.31 -50.31 73.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.95 -57.37 10.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.471 ' HE2' ' CD1' ' A' ' 66' ' ' LEU . 3.0 ttp -55.31 -52.83 62.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -43.16 -45.51 5.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.653 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 76.8 t90 -61.77 -45.54 93.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 107.996 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.579 ' CD1' ' CB ' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -56.88 -44.11 81.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.471 ' CD1' ' HE2' ' A' ' 62' ' ' MET . 26.0 mt -64.69 -11.98 41.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.11 -3.34 12.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.027 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.653 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 23.8 m-70 -134.16 22.64 3.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.595 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -77.47 -40.1 44.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -106.82 59.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -131.21 155.56 81.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -31.73 5.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.1 m-20 -64.64 -39.59 93.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.577 HG13 ' CD2' ' A' ' 45' ' ' HIS . 4.0 tp -46.52 -25.69 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.416 ' N ' ' C ' ' A' ' 73' ' ' ASP . 59.1 m-20 -91.63 -36.64 13.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -52.52 147.21 15.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 152.35 40.49 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.783 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.7 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.477 ' HB1' ' CA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 31' ' ' GLU . 16.8 t-20 -40.21 131.24 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 2.1 mt-10 -69.86 -26.47 64.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.435 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -77.01 -46.26 24.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.469 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 8.4 mt -68.83 -36.75 75.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.2 t -73.33 -47.73 45.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -55.1 -35.89 65.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -70.65 -50.08 40.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.4 -52.65 63.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.48 ' CG2' ' HA ' ' A' ' 43' ' ' GLN . 83.1 t -53.53 -20.81 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.86 -40.77 12.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.967 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.571 ' CE ' ' CG1' ' A' ' 58' ' ' VAL . 12.0 mtm -56.59 -27.27 57.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.004 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.96 41.8 0.58 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.469 1.105 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.436 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 54.4 m-85 -119.22 172.79 7.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.424 ' OG ' ' ND1' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -88.97 117.45 28.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.971 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.48 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 53.1 tt0 -38.28 -60.88 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 tp -39.94 -54.96 2.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.556 ' CD2' HG13 ' A' ' 74' ' ' ILE . 3.8 m170 -63.68 -51.38 65.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.608 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 73.6 m -44.65 -37.77 3.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 108.278 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.477 ' CA ' ' HB1' ' A' ' 28' ' ' ALA . 93.3 mt-30 -68.26 -60.15 2.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -49.75 -54.49 18.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.576 ' HA ' ' CE3' ' A' ' 64' ' ' TRP . . . -44.6 -69.75 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -45.25 -61.27 1.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 54' ' ' SER . 58.6 mt -45.72 -57.53 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -46.83 -33.62 4.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' SER . 27.0 p -109.42 33.02 4.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' ILE . 0.3 OUTLIER 37.33 35.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 109.975 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.465 ' CB ' HD13 ' A' ' 32' ' ' ILE . 0.1 OUTLIER 41.67 44.39 2.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.6 -16.75 64.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 166.59 161.22 15.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.571 ' CG1' ' CE ' ' A' ' 39' ' ' MET . 93.8 t -60.43 -42.67 91.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 3.7 pt-20 -59.55 -43.07 93.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -63.37 -52.29 62.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.43 -57.32 10.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.468 ' HE3' ' CD1' ' A' ' 66' ' ' LEU . 2.4 ttp -54.52 -53.18 57.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -42.78 -46.71 5.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.654 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 75.7 t90 -60.52 -45.7 92.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 108.028 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.572 ' CD1' ' CB ' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -57.36 -43.78 83.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.468 ' CD1' ' HE3' ' A' ' 62' ' ' MET . 30.6 mt -63.85 -12.52 36.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.12 -6.82 12.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.654 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 21.2 m-70 -132.4 26.93 4.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.621 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -80.12 -45.67 17.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -102.71 57.1 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.37 155.53 76.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -31.6 5.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.4 m-20 -63.76 -39.3 93.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.556 HG13 ' CD2' ' A' ' 45' ' ' HIS . 3.6 tp -45.29 -29.23 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -88.85 -36.89 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -50.27 147.75 7.1 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 155.06 42.79 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 41.0 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.486 ' HB3' ' CA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 31' ' ' GLU . 19.3 t-20 -42.03 132.16 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.96 -26.36 63.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.431 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -76.47 -47.03 24.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.448 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 18.0 mt -67.21 -34.73 71.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.442 ' CG1' HG23 ' A' ' 37' ' ' VAL . 21.2 t -74.17 -51.28 24.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.28 -33.02 40.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.505 ' NE2' ' CG2' ' A' ' 58' ' ' VAL . 35.5 mt-30 -73.43 -47.57 40.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.414 ' CD2' ' HG3' ' A' ' 62' ' ' MET . 13.3 mt -65.58 -51.41 59.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.449 ' CG2' ' HA ' ' A' ' 43' ' ' GLN . 71.6 t -52.83 -21.44 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.9 -39.72 12.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.468 ' HE3' ' CG1' ' A' ' 58' ' ' VAL . 12.2 mtm -55.56 -27.66 50.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 110.999 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.31 36.66 0.85 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 44.8 m-85 -114.32 177.52 4.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.414 ' HB2' ' ND1' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -94.09 118.5 31.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.001 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.449 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 56.7 tt0 -39.02 -60.57 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' GLN . 5.8 tp -40.11 -50.54 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 3.7 m170 -69.74 -48.92 57.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.561 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.441 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 71.9 m -47.38 -32.13 4.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 108.26 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.486 ' CA ' ' HB3' ' A' ' 28' ' ' ALA . 94.5 mt-30 -74.05 -59.83 2.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -49.38 -58.05 5.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.591 ' CB ' ' CD1' ' A' ' 65' ' ' LEU . . . -40.13 -71.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.403 ' CA ' ' HB2' ' A' ' 61' ' ' ALA . . . -42.99 -60.19 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.428 HG12 ' N ' ' A' ' 28' ' ' ALA . 52.5 mt -46.47 -56.92 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.42 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 4.7 m-80 -48.81 -32.94 9.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.2 p -107.49 27.74 8.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.349 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.42 ' C ' ' CG ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER 40.67 35.46 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.974 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.427 ' CB ' HD11 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 45.14 36.47 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.36 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.78 -31.99 63.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.63 159.34 23.4 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.505 ' CG2' ' NE2' ' A' ' 35' ' ' GLN . 53.4 t -57.63 -42.08 80.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 5.9 pt-20 -61.7 -44.23 97.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 2.3 mt-10 -61.73 -50.94 70.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.403 ' HB2' ' CA ' ' A' ' 50' ' ' ALA . . . -53.05 -58.05 8.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.454 ' HE1' ' CD1' ' A' ' 66' ' ' LEU . 3.4 ttp -53.98 -53.53 51.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -42.56 -46.7 4.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.69 ' CZ2' ' CG ' ' A' ' 68' ' ' HIS . 72.0 t90 -60.47 -45.85 92.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 108.004 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.591 ' CD1' ' CB ' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -57.47 -40.97 79.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.454 ' CD1' ' HE1' ' A' ' 62' ' ' MET . 33.5 mt -67.04 -10.34 48.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.4 t -112.33 -19.15 12.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.69 ' CG ' ' CZ2' ' A' ' 64' ' ' TRP . 35.3 m-70 -118.18 20.67 13.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.593 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -70.75 -49.56 45.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.2 p30 -102.82 54.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -123.97 156.11 66.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -31.24 6.42 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 76' ' ' ALA . 4.1 m-20 -64.53 -38.94 92.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.591 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 4.0 tp -45.85 -27.96 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -90.99 -35.8 14.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -50.05 146.25 8.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 153.76 41.95 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.497 1.788 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 51.7 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.488 ' HB1' ' CA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' ALA . 16.8 t-20 -40.07 131.51 1.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -68.64 -27.52 66.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.401 ' CB ' ' OD1' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -75.44 -51.92 11.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.441 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 19.7 mt -60.26 -38.75 78.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.423 ' CG1' HG21 ' A' ' 37' ' ' VAL . 27.5 t -72.55 -44.52 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -59.14 -30.01 67.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -77.25 -45.19 27.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.2 mt -67.78 -47.78 68.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.439 ' CG2' ' HA ' ' A' ' 43' ' ' GLN . 83.8 t -57.12 -18.13 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.35 -38.57 11.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.99 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.459 ' HE3' ' CG1' ' A' ' 58' ' ' VAL . 13.0 mtm -58.95 -25.82 63.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.86 41.45 0.66 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.445 1.09 . . . . 0.0 110.977 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.443 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 54.7 m-85 -119.5 174.13 6.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.444 ' OG ' ' ND1' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -91.01 118.21 30.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.001 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.439 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 56.9 tt0 -39.12 -60.85 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' GLN . 5.1 tp -40.04 -52.75 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 3.6 m170 -66.8 -50.3 63.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.618 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.443 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 75.4 m -45.26 -36.35 3.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 108.353 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.488 ' CA ' ' HB1' ' A' ' 28' ' ' ALA . 87.5 mt-30 -69.1 -60.15 2.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 49' ' ' ALA . 24.6 mttt -48.92 -58.75 4.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.586 ' CB ' ' CD1' ' A' ' 65' ' ' LEU . . . -38.77 -71.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -43.48 -60.06 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 57.9 mt -46.76 -57.59 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.426 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 6.8 m-80 -49.09 -24.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' ALA . 41.3 p -117.18 30.88 7.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.406 ' C ' ' CG ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER 39.87 32.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.406 ' CG ' ' C ' ' A' ' 54' ' ' SER . 0.0 OUTLIER 47.07 38.99 7.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.54 -41.64 77.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.52 149.51 11.13 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.459 ' CG1' ' HE3' ' A' ' 39' ' ' MET . 57.9 t -46.13 -47.38 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.2 pt-20 -55.4 -44.32 76.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.6 mt-10 -61.94 -51.17 69.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.42 ' HB3' ' N ' ' A' ' 50' ' ' ALA . . . -52.67 -57.89 8.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.452 ' HE1' ' CD1' ' A' ' 66' ' ' LEU . 2.8 ttp -53.95 -53.49 52.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -43.07 -46.6 5.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.652 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 73.6 t90 -60.64 -44.96 95.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 107.997 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.586 ' CD1' ' CB ' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -58.46 -42.71 88.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.353 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.452 ' CD1' ' HE1' ' A' ' 62' ' ' MET . 36.5 mt -63.98 -12.42 37.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.27 -8.93 12.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.652 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 14.7 m-70 -131.46 29.3 4.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.624 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -81.7 -45.42 15.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -102.72 57.14 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.19 155.67 73.38 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -31.61 6.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.436 1.756 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.2 OUTLIER -64.92 -37.86 89.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.596 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 4.0 tp -47.51 -25.11 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 73' ' ' ASP . 0.1 OUTLIER -91.33 -35.48 14.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -54.13 147.18 27.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 154.62 42.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.802 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 21.1 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.476 ' HB3' ' CA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -41.62 135.81 2.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 4.8 mt-10 -70.26 -27.65 64.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -51.52 11.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 17.3 mt -61.47 -38.79 80.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.449 ' CG1' HG21 ' A' ' 37' ' ' VAL . 56.8 t -71.72 -43.73 69.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -60.71 -32.51 71.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -74.36 -44.54 51.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.423 ' CD2' ' HG3' ' A' ' 62' ' ' MET . 14.5 mt -69.39 -49.98 50.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.449 HG21 ' CG1' ' A' ' 33' ' ' VAL . 81.8 t -54.77 -19.93 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.25 -39.97 11.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.466 ' HE3' ' CG1' ' A' ' 58' ' ' VAL . 12.2 mtm -54.44 -27.04 34.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.38 37.61 0.84 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.434 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 42.1 m-85 -113.89 -174.15 2.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.766 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -103.04 118.04 35.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.443 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 50.2 tt0 -38.18 -60.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.266 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 tp -39.98 -52.01 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.599 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 3.8 m170 -68.98 -49.32 58.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.613 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.434 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 73.7 m -47.19 -30.99 3.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 108.288 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.476 ' CA ' ' HB3' ' A' ' 28' ' ' ALA . 32.2 mt-30 -75.34 -59.7 2.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.455 ' CG ' HG12 ' A' ' 78' ' ' ILE . 25.7 mttt -49.56 -55.2 14.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.584 ' CB ' ' CD1' ' A' ' 65' ' ' LEU . . . -43.95 -70.23 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -44.54 -60.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.431 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 56.3 mt -46.24 -55.3 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.46 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 5.1 m-80 -48.37 -33.23 8.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 50' ' ' ALA . 17.8 p -108.02 27.55 9.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.387 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.87 28.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 53' ' ' THR . 0.0 OUTLIER 53.04 35.67 20.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.96 -43.23 66.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.71 155.58 25.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.143 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.466 ' CG1' ' HE3' ' A' ' 39' ' ' MET . 40.2 t -53.09 -40.68 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 3.9 pt-20 -63.0 -43.24 99.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -61.78 -51.47 68.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.41 -58.26 7.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.472 ' HE2' ' CD1' ' A' ' 66' ' ' LEU . 2.9 ttp -54.0 -53.24 55.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -43.61 -45.4 6.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.652 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 67.4 t90 -61.69 -44.39 97.04 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.584 ' CD1' ' CB ' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -58.56 -43.62 89.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.472 ' CD1' ' HE2' ' A' ' 62' ' ' MET . 26.1 mt -65.27 -11.52 42.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.01 -11.89 13.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 110.003 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.652 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 15.1 m-70 -130.05 29.37 4.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.596 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -79.69 -45.3 19.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -103.43 63.45 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.85 156.11 80.44 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -30.71 6.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.5 OUTLIER -66.14 -39.18 89.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.599 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 4.1 tp -47.58 -25.65 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.4 -34.21 14.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -55.73 145.68 50.2 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 152.18 40.3 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.48 1.779 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.455 HG12 ' CG ' ' A' ' 48' ' ' LYS . 92.9 mt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.483 ' HB1' ' CA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.421 ' OD1' ' CB ' ' A' ' 31' ' ' GLU . 16.5 t-20 -39.6 128.14 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -25.13 63.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' CB ' ' OD1' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -76.45 -42.83 42.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.467 HD12 ' CB ' ' A' ' 55' ' ' ASN . 13.6 mt -71.83 -34.55 51.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.446 ' CG1' HG23 ' A' ' 37' ' ' VAL . 44.0 t -74.57 -51.92 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.1 -35.12 46.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -71.23 -48.98 48.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.324 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 61' ' ' ALA . 10.0 mt -63.83 -57.32 10.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.477 ' CG2' ' HA ' ' A' ' 43' ' ' GLN . 90.8 t -46.07 -26.13 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -82.99 -42.08 17.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.03 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.461 ' HE1' ' CG1' ' A' ' 58' ' ' VAL . 11.7 mtm -54.89 -29.42 55.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.74 41.23 0.5 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.433 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 52.6 m-85 -118.46 175.26 5.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 0.764 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.476 ' HB2' ' CG ' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -91.99 118.03 30.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.477 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 58.9 tt0 -38.42 -62.49 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 tp -40.75 -51.07 3.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 7.2 m170 -65.15 -52.35 55.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.556 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.433 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 73.4 m -45.87 -40.85 10.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 108.342 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.483 ' CA ' ' HB1' ' A' ' 28' ' ' ALA . 94.5 mt-30 -63.45 -59.23 4.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.408 ' CG ' HG12 ' A' ' 78' ' ' ILE . 28.3 mttt -50.82 -58.52 5.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.564 ' HA ' ' CE3' ' A' ' 64' ' ' TRP . . . -40.17 -71.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -43.1 -59.02 2.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.8 mt -47.66 -58.41 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.56 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 11.2 m-80 -49.53 -23.7 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 50' ' ' ALA . 31.9 p -117.56 30.0 7.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER 37.53 36.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.017 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.467 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.1 OUTLIER 42.21 44.04 3.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.37 -35.13 76.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.36 153.02 12.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.461 ' CG1' ' HE1' ' A' ' 39' ' ' MET . 75.8 t -50.81 -42.19 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.5 pt-20 -60.13 -45.17 93.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.478 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.1 mt-10 -60.9 -48.94 79.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.445 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . . . -53.39 -56.02 20.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.3 ttm -57.51 -51.19 70.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -46.38 -38.85 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.651 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 53.7 t90 -70.01 -38.82 76.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 107.994 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 62' ' ' MET . 1.2 mt -65.21 -40.93 94.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.5 mt -68.81 -9.2 49.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 t -113.43 -18.4 12.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.056 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.651 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 26.8 m-70 -119.61 19.1 12.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.599 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -70.93 -45.32 64.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -104.29 60.36 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.412 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 0.4 OUTLIER -132.3 155.42 81.3 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -31.34 6.28 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.5 m-20 -64.12 -38.99 93.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.58 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 4.4 tp -45.3 -29.17 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.12 -36.25 14.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -48.94 147.09 4.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 154.96 42.87 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.449 1.763 . . . . 0.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.408 HG12 ' CG ' ' A' ' 48' ' ' LYS . 73.5 mt . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.487 ' HB2' ' CA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -42.45 132.54 3.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -69.05 -27.93 66.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.263 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -51.95 12.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.5 mt -60.14 -40.66 84.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.41 -45.26 75.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -58.05 -32.88 68.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -74.02 -47.23 38.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.461 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 14.2 mt -65.22 -55.55 17.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.48 ' CG2' ' HA ' ' A' ' 43' ' ' GLN . 78.6 t -48.49 -24.41 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -84.74 -41.9 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.031 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.45 ' HE1' ' CG1' ' A' ' 58' ' ' VAL . 11.1 mtm -55.02 -29.51 57.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.76 40.86 0.55 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.434 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 52.5 m-85 -118.01 174.35 6.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.449 ' OG ' ' ND1' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -89.84 117.28 28.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.48 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 54.7 tt0 -38.59 -61.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 tp -40.42 -54.79 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 4.1 m170 -63.07 -52.05 64.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.62 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.434 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 71.4 m -44.46 -41.05 6.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 108.268 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.487 ' CA ' ' HB2' ' A' ' 28' ' ' ALA . 87.3 mt-30 -63.52 -59.88 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HE2' ' CG1' ' A' ' 78' ' ' ILE . 17.4 mttm -49.86 -59.05 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.565 ' HA ' ' CE3' ' A' ' 64' ' ' TRP . . . -38.88 -71.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -42.97 -60.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.436 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 58.0 mt -47.09 -56.96 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.569 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 8.1 m-80 -49.38 -25.69 2.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.1 p -115.55 28.88 8.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.378 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.426 ' C ' ' CG ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER 40.77 33.48 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.007 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.426 ' CG ' ' C ' ' A' ' 54' ' ' SER . 0.0 OUTLIER 47.15 37.23 5.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.69 -41.56 67.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.43 160.44 33.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.45 ' CG1' ' HE1' ' A' ' 39' ' ' MET . 29.0 t -57.47 -44.49 84.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.451 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.2 pt-20 -59.91 -42.96 95.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.451 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.8 mt-10 -61.25 -48.52 81.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.461 ' HB1' ' CD1' ' A' ' 36' ' ' LEU . . . -53.06 -55.57 22.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.4 ttm -57.96 -51.69 68.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -44.93 -40.12 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.657 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 65.4 t90 -67.77 -41.97 82.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 108.003 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.471 HD21 ' CB ' ' A' ' 45' ' ' HIS . 1.1 mt -61.52 -43.77 98.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.9 mt -65.36 -11.31 40.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -112.98 -12.81 13.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.029 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.657 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 12.5 m-70 -130.03 30.54 4.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.57 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -82.23 -42.35 19.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.956 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -104.85 59.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -129.47 155.33 80.33 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -31.42 6.29 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.486 1.782 . . . . 0.0 111.004 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.1 m-20 -64.24 -39.41 93.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.574 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 3.7 tp -45.94 -27.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 73' ' ' ASP . 27.2 m-20 -90.18 -37.11 14.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -50.31 146.97 8.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 150.38 37.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.416 ' CG1' ' HE2' ' A' ' 48' ' ' LYS . 27.8 mt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.488 ' HB3' ' CA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -42.05 126.47 3.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 7.2 mt-10 -66.49 -24.23 66.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.339 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.77 -47.63 18.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.253 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.453 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 17.0 mt -66.41 -39.51 84.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.418 ' CG1' HG21 ' A' ' 37' ' ' VAL . 40.6 t -71.28 -50.13 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -51.91 -31.34 28.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.409 ' NE2' HG22 ' A' ' 58' ' ' VAL . 34.9 mt-30 -75.97 -46.81 27.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.417 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 8.3 mt -65.69 -55.54 16.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.418 HG21 ' CG1' ' A' ' 33' ' ' VAL . 74.1 t -48.6 -24.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -85.17 -40.85 16.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.3 mtm -55.78 -28.58 56.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.3 41.46 0.58 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.092 . . . . 0.0 111.034 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.431 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 50.0 m-85 -117.92 172.87 7.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.478 ' HB2' ' CG ' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -89.9 115.31 27.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.984 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 44' ' ' LEU . 49.7 tt0 -39.04 -63.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' GLN . 6.3 tp -39.24 -42.07 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.586 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 8.2 m170 -75.97 -49.44 17.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.616 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.431 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 97.2 m -48.81 -40.7 30.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 108.309 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.488 ' CA ' ' HB3' ' A' ' 28' ' ' ALA . 35.5 mt-30 -62.81 -57.5 10.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -52.89 -58.14 7.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.566 ' HA ' ' CE3' ' A' ' 64' ' ' TRP . . . -40.19 -72.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -43.29 -61.99 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.446 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 59.2 mt -45.08 -57.29 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.522 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 3.2 m-80 -49.01 -31.53 7.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' ALA . 3.1 p -107.9 26.62 10.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.84 27.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.411 ' N ' ' C ' ' A' ' 53' ' ' THR . 0.0 OUTLIER 53.21 34.24 17.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.72 -45.02 48.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.09 152.24 18.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.428 1.08 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.453 ' HA ' ' CG2' ' A' ' 32' ' ' ILE . 57.5 t -48.12 -45.66 12.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.477 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.8 pt-20 -57.94 -45.0 87.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.477 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -61.71 -48.47 80.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.4 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.04 -54.83 29.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.138 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.5 ttm -58.83 -50.82 72.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -45.97 -39.07 8.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.655 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 52.7 t90 -68.44 -41.07 80.83 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.463 HD22 ' CB ' ' A' ' 45' ' ' HIS . 1.2 mt -62.64 -43.67 98.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.3 mt -67.58 -9.82 46.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.86 -5.66 12.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.655 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 22.6 m-70 -132.47 20.09 4.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.624 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -75.05 -40.74 60.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.973 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -104.55 60.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.454 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 0.4 OUTLIER -132.81 154.71 81.54 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.3 4.71 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.802 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 76' ' ' ALA . 2.7 m-20 -63.97 -38.32 90.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.586 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 4.5 tp -46.12 -27.73 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.28 -36.77 15.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -49.91 145.05 9.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 153.7 41.94 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.452 1.764 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 26.1 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.482 ' HB2' ' CA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 28' ' ' ALA . 13.9 t-20 -39.07 130.13 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -69.94 -25.42 63.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.81 -47.24 26.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.472 HD12 ' CB ' ' A' ' 55' ' ' ASN . 17.3 mt -66.73 -38.37 81.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.422 ' CG1' HG23 ' A' ' 37' ' ' VAL . 25.0 t -71.45 -46.33 64.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -58.55 -27.58 64.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -79.49 -43.84 22.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.416 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 16.3 mt -69.49 -48.25 61.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 43' ' ' GLN . 81.4 t -55.01 -20.93 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.46 -39.85 11.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.979 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.459 ' HE1' ' CG1' ' A' ' 58' ' ' VAL . 11.7 mtm -56.45 -26.86 55.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.44 37.64 0.78 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 53.6 m-85 -115.97 174.79 5.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.446 ' OG ' ' ND1' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -92.31 117.99 30.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.993 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.466 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 55.5 tt0 -38.06 -60.66 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tp -41.31 -52.74 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 7.5 m170 -65.78 -51.06 62.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.622 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.441 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 79.2 m -44.36 -37.44 3.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.482 ' CA ' ' HB2' ' A' ' 28' ' ' ALA . 83.9 mt-30 -68.59 -59.82 2.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.461 ' HE2' ' CG1' ' A' ' 78' ' ' ILE . 19.7 mttt -49.33 -55.36 13.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.572 ' HA ' ' CE3' ' A' ' 64' ' ' TRP . . . -43.1 -69.09 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -45.27 -60.4 2.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 58.4 mt -46.52 -57.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.557 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 7.0 m-80 -48.1 -25.04 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' ALA . 12.3 p -119.33 32.44 6.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER 36.99 34.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.984 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.472 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.2 OUTLIER 41.77 44.74 2.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.27 -28.98 70.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.17 148.59 7.81 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.459 ' CG1' ' HE1' ' A' ' 39' ' ' MET . 92.8 t -48.11 -43.81 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.425 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 3.2 pt-20 -58.24 -41.74 84.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -63.36 -50.18 70.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.416 ' HB1' ' CD1' ' A' ' 36' ' ' LEU . . . -53.27 -55.36 25.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.459 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.4 ttm -57.8 -51.84 67.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -45.22 -40.68 7.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.088 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.65 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 74.8 t90 -67.3 -41.4 85.45 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.468 HD12 ' CB ' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -63.54 -41.81 98.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.5 mt -64.96 -11.61 40.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.0 m -116.63 -9.66 11.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.65 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 11.0 m-70 -130.26 27.7 5.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.581 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -76.5 -42.31 43.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -112.06 59.69 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.12 156.17 60.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.405 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 18.3 Cg_endo -75.01 -14.69 21.05 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.461 1.769 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 76' ' ' ALA . 4.1 m-20 -83.86 -39.08 20.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.595 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 3.9 tp -46.17 -30.02 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 72' ' ' PRO . 2.3 p30 -89.17 -34.38 16.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -53.5 146.95 22.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 153.74 42.02 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.464 1.771 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.461 ' CG1' ' HE2' ' A' ' 48' ' ' LYS . 38.8 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.489 ' HB2' ' CA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -40.59 139.83 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 4.3 mp0 -76.05 -24.8 55.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.32 -49.16 14.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.449 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 12.3 mt -63.86 -36.78 77.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.448 ' CG1' HG23 ' A' ' 37' ' ' VAL . 46.6 t -74.31 -53.25 17.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -51.52 -29.18 15.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -77.35 -45.79 24.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.409 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 12.2 mt -68.19 -45.38 73.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 43' ' ' GLN . 96.1 t -58.48 -17.52 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.67 -41.42 11.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 21.3 mtm -57.25 -14.76 4.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.0 31.55 4.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.436 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 5.4 m-85 -102.91 -175.17 2.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.444 ' HB2' ' CG ' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -102.93 117.09 33.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.46 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 46.6 tt0 -38.04 -61.07 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.0 tp -40.62 -55.63 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.558 ' CD2' HG13 ' A' ' 74' ' ' ILE . 3.3 m170 -63.59 -51.35 65.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.587 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 73.4 m -45.6 -37.51 5.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 108.338 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.489 ' CA ' ' HB2' ' A' ' 28' ' ' ALA . 34.1 mt-30 -68.65 -60.21 2.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' ALA . 28.0 mttt -48.89 -59.57 3.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.595 ' CB ' ' CD1' ' A' ' 65' ' ' LEU . . . -38.89 -72.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -42.01 -59.58 1.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.438 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 56.7 mt -47.63 -55.42 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.495 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 3.9 m-80 -49.7 -27.9 5.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.2 p -112.81 25.52 11.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 110.412 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 44.61 27.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.411 ' ND2' ' N ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER 54.89 36.37 26.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.56 -39.31 67.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.355 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.59 148.11 8.55 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.449 ' HA ' ' CG2' ' A' ' 32' ' ' ILE . 99.8 t -44.77 -50.95 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.763 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.443 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 3.4 pt-20 -53.38 -42.79 67.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.443 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -63.63 -51.22 66.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 49' ' ' ALA . . . -52.26 -56.91 11.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.466 ' HE2' ' CD1' ' A' ' 66' ' ' LEU . 2.9 ttp -54.86 -53.0 61.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -43.2 -46.27 5.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.649 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 69.6 t90 -60.81 -44.81 96.4 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.595 ' CD1' ' CB ' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -58.55 -43.55 89.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.466 ' CD1' ' HE2' ' A' ' 62' ' ' MET . 36.1 mt -62.54 -13.27 28.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.81 -13.96 13.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.019 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.649 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 14.3 m-70 -127.5 32.36 5.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.594 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -84.07 -42.58 15.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.973 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -104.4 46.89 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -114.62 155.34 46.21 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -32.51 5.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 110.995 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 76' ' ' ALA . 2.6 m-20 -63.51 -38.01 89.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.558 HG13 ' CD2' ' A' ' 45' ' ' HIS . 3.8 tp -45.68 -28.57 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -88.78 -37.15 15.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.143 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -50.94 146.75 9.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 151.54 39.51 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 70.1 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HB2' ' CA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.435 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 18.5 t-20 -44.15 135.32 4.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -70.36 -21.6 62.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 110.338 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.69 -53.53 6.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.486 ' CD1' ' HB3' ' A' ' 55' ' ' ASN . 6.9 mt -60.88 -38.13 78.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 29' ' ' ASN . 83.9 t -71.76 -46.93 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -58.59 -31.58 68.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -74.54 -40.53 61.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.42 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 16.4 mt -73.39 -52.93 12.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 43' ' ' GLN . 93.3 t -52.0 -21.95 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.11 -41.59 13.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.989 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.411 ' HE2' ' CG1' ' A' ' 58' ' ' VAL . 12.7 mtm -55.08 -27.1 42.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.81 37.09 0.85 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.433 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 52.1 m-85 -112.87 177.01 4.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.763 . . . . 0.0 111.03 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.443 ' OG ' ' ND1' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -93.91 116.71 29.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.472 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 57.9 tt0 -37.31 -61.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 tp -40.42 -54.75 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 3.7 m170 -63.88 -51.54 64.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.581 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.433 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 71.5 m -44.03 -38.36 3.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 108.292 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.455 ' CA ' ' HB2' ' A' ' 28' ' ' ALA . 84.0 mt-30 -68.52 -60.5 2.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -48.4 -52.54 21.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.577 ' CB ' ' CD1' ' A' ' 65' ' ' LEU . . . -49.87 -68.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.5 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . . . -44.82 -60.13 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 54' ' ' SER . 62.6 mt -49.34 -54.94 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.531 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 3.1 m-80 -47.22 -29.26 2.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 55' ' ' ASN . 38.6 p -113.55 34.3 4.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.377 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 51' ' ' ILE . 0.3 OUTLIER 38.02 30.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.5 ' OD1' ' CB ' ' A' ' 50' ' ' ALA . 7.9 m-80 45.24 45.99 9.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.31 -33.97 77.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.51 154.39 16.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.439 ' HA ' ' CG2' ' A' ' 32' ' ' ILE . 76.1 t -50.95 -46.6 30.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.1 pt-20 -56.6 -44.18 80.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.354 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.468 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -61.04 -50.24 74.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.42 ' HB1' ' CD1' ' A' ' 36' ' ' LEU . . . -53.22 -57.18 11.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.7 ttm -55.98 -52.27 64.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.1 -43.54 4.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.652 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 72.4 t90 -65.2 -43.93 89.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 108.04 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.577 ' CD1' ' CB ' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -60.27 -42.13 94.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.1 mt -64.93 -11.55 39.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -114.08 -14.4 12.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.652 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 13.5 m-70 -127.76 31.13 5.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.543 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -82.59 -43.01 17.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -104.81 56.68 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -126.16 155.65 73.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -31.63 6.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.6 OUTLIER -64.03 -39.17 93.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.6 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 3.8 tp -46.54 -25.83 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 73' ' ' ASP . 60.8 m-20 -90.56 -36.69 14.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -52.63 145.28 21.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 154.99 42.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.8 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.483 ' HB1' ' CA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.423 ' HB2' ' CB ' ' A' ' 55' ' ' ASN . 16.5 t-20 -42.25 130.27 3.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 5.4 mt-10 -69.26 -26.72 64.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -49.55 17.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.112 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.471 HD13 ' CB ' ' A' ' 55' ' ' ASN . 15.4 mt -64.33 -38.47 82.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.452 ' CG1' HG22 ' A' ' 37' ' ' VAL . 56.1 t -71.6 -47.54 57.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -57.21 -33.04 67.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -73.51 -48.06 36.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' MET . 6.7 mt -65.51 -55.79 15.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.462 ' CG2' ' HA ' ' A' ' 43' ' ' GLN . 89.0 t -46.65 -25.64 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -77.25 -41.02 42.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.032 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 36' ' ' LEU . 16.7 mtt -56.82 -29.93 63.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.09 -11.67 5.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.423 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 45.6 m-85 -59.37 174.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -96.83 117.32 30.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.034 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.462 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 54.2 tt0 -35.09 -60.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.2 tp -40.51 -49.6 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.545 ' CD2' HG13 ' A' ' 74' ' ' ILE . 3.7 m170 -68.5 -51.39 43.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.626 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.423 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 76.4 m -45.87 -41.55 11.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 108.304 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.483 ' CA ' ' HB1' ' A' ' 28' ' ' ALA . 33.5 mt-30 -64.6 -59.37 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.451 ' CG ' HG12 ' A' ' 78' ' ' ILE . 28.6 mttt -50.98 -56.59 11.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.574 ' HA ' ' CE3' ' A' ' 64' ' ' TRP . . . -42.82 -70.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -43.48 -60.0 1.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.43 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 56.4 mt -47.38 -57.08 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.566 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 5.8 m-80 -48.23 -24.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' SER . 35.3 p -119.47 31.83 6.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER 37.38 36.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.029 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.471 ' CB ' HD13 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 42.4 43.51 3.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.69 -38.26 81.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.99 147.1 9.12 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.451 ' HA ' ' CG2' ' A' ' 32' ' ' ILE . 80.1 t -46.69 -36.91 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.487 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.9 pt-20 -64.32 -45.41 88.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.487 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 4.8 mt-10 -62.43 -48.08 81.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 49' ' ' ALA . . . -53.47 -54.94 29.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.2 ttm -58.23 -51.23 70.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -45.34 -40.07 7.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.65 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 66.1 t90 -67.66 -41.47 83.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 107.994 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.467 HD12 ' CB ' ' A' ' 49' ' ' ALA . 0.9 OUTLIER -61.79 -45.4 94.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.9 mt -64.65 -12.09 42.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.91 -6.35 13.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.03 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.65 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 15.6 m-70 -133.54 26.11 4.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.61 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -79.12 -42.12 27.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -105.53 59.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.78 155.42 81.39 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -31.27 6.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.544 1.813 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.0 OUTLIER -64.31 -38.23 90.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.545 HG13 ' CD2' ' A' ' 45' ' ' HIS . 3.9 tp -47.37 -28.99 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.76 -33.17 17.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -56.09 144.03 60.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 158.67 42.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.451 HG12 ' CG ' ' A' ' 48' ' ' LYS . 68.8 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.495 ' HB3' ' CA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -40.62 128.09 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 19.6 mt-10 -67.21 -24.46 65.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.89 -49.91 13.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.456 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 15.9 mt -63.52 -40.89 90.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.42 ' CG1' HG23 ' A' ' 37' ' ' VAL . 37.1 t -70.25 -50.52 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -50.11 -30.88 12.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -76.72 -46.95 23.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.423 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 10.9 mt -65.2 -51.57 60.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.42 HG23 ' CG1' ' A' ' 33' ' ' VAL . 72.1 t -53.96 -20.36 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.84 -40.44 12.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.02 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.1 mtm -56.11 -28.27 57.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.08 41.76 0.58 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.433 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 49.1 m-85 -118.41 176.69 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.421 ' HB2' ' ND1' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -93.49 116.92 29.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.002 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 44' ' ' LEU . 54.3 tt0 -40.48 -61.35 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 43' ' ' GLN . 6.1 tp -40.0 -44.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 6.6 m170 -75.08 -49.08 20.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.583 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.433 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 81.8 m -48.36 -39.81 23.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 108.275 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.495 ' CA ' ' HB3' ' A' ' 28' ' ' ALA . 36.2 mt-30 -63.56 -57.75 9.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' ALA . 22.7 mttt -51.47 -59.81 3.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.56 ' HA ' ' CE3' ' A' ' 64' ' ' TRP . . . -37.89 -73.73 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -42.17 -62.19 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.442 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 57.7 mt -45.03 -57.44 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.404 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 3.6 m-80 -48.47 -32.03 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.7 p -108.03 27.43 9.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.376 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.2 27.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.414 ' N ' ' C ' ' A' ' 53' ' ' THR . 0.0 OUTLIER 52.46 35.97 19.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.85 -41.78 62.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.26 151.58 13.11 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.456 ' HA ' ' CG2' ' A' ' 32' ' ' ILE . 57.8 t -45.95 -50.93 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.475 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.4 pt-20 -53.42 -44.87 69.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.475 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.4 mt-10 -61.73 -51.38 68.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.83 -56.97 11.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.469 ' HE1' ' CD1' ' A' ' 66' ' ' LEU . 3.0 ttp -55.4 -52.68 62.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.56 -45.68 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.657 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 66.4 t90 -60.99 -45.23 95.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 107.98 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.472 HD11 ' CB ' ' A' ' 49' ' ' ALA . 1.6 mt -57.77 -42.65 84.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.469 ' CD1' ' HE1' ' A' ' 62' ' ' MET . 23.9 mt -67.89 -9.52 45.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.63 -7.73 12.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.657 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 32.0 m-70 -130.66 20.55 5.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -74.89 -42.1 58.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.13 57.0 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.472 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 2.7 m-20 -127.51 155.22 77.15 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -31.91 5.8 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.502 1.79 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.9 OUTLIER -65.81 -37.95 87.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.591 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 5.3 tp -45.85 -27.41 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 73' ' ' ASP . 63.5 m-20 -89.22 -37.36 15.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -49.93 145.45 9.13 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 150.94 38.7 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 43.2 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.483 ' HB3' ' CA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.473 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 13.4 t-20 -39.61 146.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.25 -24.77 37.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.243 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -79.2 -50.87 10.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.0 mt -62.24 -33.44 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 29' ' ' ASN . 55.4 t -77.57 -38.81 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.6 -32.87 74.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -74.34 -43.39 56.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.461 ' CD2' ' HE1' ' A' ' 39' ' ' MET . 17.1 mt -69.75 -57.44 5.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.482 ' CG2' ' HA ' ' A' ' 43' ' ' GLN . 77.8 t -45.64 -26.58 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -80.82 -42.1 22.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.962 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.461 ' HE1' ' CD2' ' A' ' 36' ' ' LEU . 12.3 mtt -53.06 -29.27 29.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.108 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.44 -5.53 7.15 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.491 1.12 . . . . 0.0 110.966 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 62' ' ' MET . 44.5 m-85 -68.69 175.9 3.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.443 ' OG ' ' ND1' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -96.27 121.85 38.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.017 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.482 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 61.7 tt0 -38.56 -60.69 0.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tp -40.33 -51.87 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.558 ' CD2' HG13 ' A' ' 74' ' ' ILE . 3.5 m170 -68.2 -49.86 58.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.576 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.437 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 79.2 m -46.44 -33.82 4.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.327 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.483 ' CA ' ' HB3' ' A' ' 28' ' ' ALA . 91.6 mt-30 -71.63 -59.95 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ALA . 26.7 mttt -49.78 -57.77 6.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.587 ' CB ' ' CD1' ' A' ' 65' ' ' LEU . . . -38.6 -71.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -44.2 -60.04 2.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.436 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 54.9 mt -46.73 -56.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.504 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 6.8 m-80 -49.1 -24.64 1.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.0 p -117.88 28.14 8.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 42.99 27.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.032 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.43 ' N ' ' C ' ' A' ' 53' ' ' THR . 0.0 OUTLIER 53.66 36.89 24.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.24 -41.89 65.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -171.54 157.13 27.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.138 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 37.7 t -53.32 -44.86 55.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.1 pt-20 -59.51 -43.1 93.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.3 mt-10 -61.76 -51.17 69.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.27 -57.19 10.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.561 ' HG3' ' CE2' ' A' ' 41' ' ' PHE . 3.2 ttp -55.25 -53.09 60.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -42.62 -46.27 4.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.64 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 70.0 t90 -61.1 -45.68 93.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.587 ' CD1' ' CB ' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -57.61 -41.27 80.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.471 ' CD1' ' HE2' ' A' ' 62' ' ' MET . 39.5 mt -64.84 -11.69 40.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.6 m -113.25 -16.97 12.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.014 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.64 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 15.5 m-70 -124.46 29.77 6.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.602 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -75.4 -47.89 25.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -107.93 41.22 1.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -98.25 156.93 35.26 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -18.36 18.93 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 111.049 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 76' ' ' ALA . 2.2 m-20 -82.43 -36.24 26.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.558 HG13 ' CD2' ' A' ' 45' ' ' HIS . 3.5 tp -47.93 -36.46 5.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -81.48 -28.98 33.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -65.28 145.56 99.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.237 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 168.12 25.52 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 63.7 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.472 ' HB2' ' CA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 55' ' ' ASN . 17.2 t-20 -38.73 127.23 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 2.4 mt-10 -67.41 -26.12 66.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.25 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -47.16 27.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.463 HD12 ' CB ' ' A' ' 55' ' ' ASN . 19.7 mt -66.71 -39.41 83.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.445 ' CG1' HG23 ' A' ' 37' ' ' VAL . 53.2 t -71.36 -48.5 53.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -52.72 -31.62 38.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -75.7 -47.46 26.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.426 ' CD2' ' HE2' ' A' ' 39' ' ' MET . 19.0 mt -64.24 -53.43 49.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.473 ' CG2' ' HA ' ' A' ' 43' ' ' GLN . 77.2 t -51.1 -22.56 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.1 -38.58 12.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.003 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.469 ' HE3' ' CG1' ' A' ' 58' ' ' VAL . 11.4 mtm -56.9 -25.51 57.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.21 34.72 1.09 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.436 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 49.6 m-85 -112.97 178.83 4.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.443 ' OG ' ' ND1' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -96.24 118.98 33.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.027 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.473 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 55.1 tt0 -37.94 -59.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.451 HD23 ' CD2' ' A' ' 45' ' ' HIS . 4.6 tp -42.54 -54.64 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 3.4 m170 -64.14 -51.3 64.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.614 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 76.8 m -43.78 -40.04 4.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 108.299 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.472 ' CA ' ' HB2' ' A' ' 28' ' ' ALA . 36.4 mt-30 -67.32 -60.18 2.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -48.44 -56.1 9.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.364 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.577 ' CB ' ' CD1' ' A' ' 65' ' ' LEU . . . -43.21 -69.55 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -44.81 -60.2 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.1 mt -46.61 -56.56 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.499 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 5.6 m-80 -48.53 -26.31 2.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 50' ' ' ALA . 50.8 p -117.42 30.23 7.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.422 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER 38.08 36.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.977 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.469 ' CB ' ' HB2' ' A' ' 29' ' ' ASN . 0.2 OUTLIER 41.36 45.1 2.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 109.262 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.94 -32.46 74.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.62 148.56 9.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.459 1.1 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.469 ' CG1' ' HE3' ' A' ' 39' ' ' MET . 55.3 t -47.42 -48.71 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.2 pt-20 -55.31 -44.74 76.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 6.6 mm-40 -57.84 -53.69 55.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.73 -59.1 4.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.472 ' HE3' ' CD1' ' A' ' 66' ' ' LEU . 2.2 ttp -52.95 -53.35 51.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -43.22 -47.07 6.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.652 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 73.8 t90 -60.29 -44.19 95.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 108.017 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.577 ' CD1' ' CB ' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -59.96 -42.51 94.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.472 ' CD1' ' HE3' ' A' ' 62' ' ' MET . 37.6 mt -64.05 -12.55 39.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.14 -6.94 11.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.652 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 19.4 m-70 -131.59 26.72 4.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.618 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -80.53 -41.79 23.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -106.7 55.97 0.66 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.13 155.99 70.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -30.84 6.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.788 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.3 m-20 -65.94 -39.12 90.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.598 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 4.3 tp -46.23 -26.12 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 73' ' ' ASP . 57.5 m-20 -91.14 -36.93 13.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -51.58 148.95 8.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 158.67 42.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 0.0 110.998 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.6 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.476 ' HB1' ' CA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -41.06 132.25 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.485 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 1.2 mt-10 -68.72 -26.26 65.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -53.72 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.451 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 15.7 mt -59.5 -37.41 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.451 ' CG1' HG22 ' A' ' 37' ' ' VAL . 44.3 t -73.89 -48.33 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -56.54 -34.28 66.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -71.72 -44.84 63.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.468 ' CD2' ' HE3' ' A' ' 39' ' ' MET . 8.3 mt -69.19 -54.39 15.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.451 HG22 ' CG1' ' A' ' 33' ' ' VAL . 78.5 t -48.65 -23.97 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -84.91 -41.37 16.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.974 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.468 ' HE3' ' CD2' ' A' ' 36' ' ' LEU . 11.5 mtm -53.89 -29.41 41.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.55 40.71 0.6 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.545 1.153 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.433 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 39.2 m-85 -114.16 -171.83 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.754 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -105.25 113.21 26.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.014 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 42' ' ' SER . 48.4 tt0 -35.56 -62.34 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' GLN . 5.2 tp -39.29 -47.8 1.75 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.564 ' CD2' HG13 ' A' ' 74' ' ' ILE . 6.8 m170 -72.12 -49.04 39.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.577 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.433 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 92.0 m -49.22 -28.84 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.258 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.476 ' CA ' ' HB1' ' A' ' 28' ' ' ALA . 34.1 mt-30 -76.04 -58.96 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.352 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -50.58 -54.16 24.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.569 ' HA ' ' CE3' ' A' ' 64' ' ' TRP . . . -43.04 -69.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -46.32 -62.81 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.432 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 51.5 mt -44.12 -50.53 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.514 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 4.2 m-80 -55.31 -37.45 67.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 50' ' ' ALA . 35.5 p -104.94 28.37 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.378 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.428 ' C ' ' CG ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER 40.13 35.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.015 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.428 ' CG ' ' C ' ' A' ' 54' ' ' SER . 0.0 OUTLIER 46.22 41.96 9.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' THR . . . -58.46 -23.03 56.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 166.79 156.47 9.68 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.451 ' HA ' ' CG2' ' A' ' 32' ' ' ILE . 46.4 t -50.05 -42.55 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 0.793 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.1 pt-20 -63.56 -41.72 98.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.429 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -60.51 -53.54 56.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.407 ' HB1' ' CD1' ' A' ' 36' ' ' LEU . . . -51.51 -58.73 5.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.45 ' HG3' ' CD2' ' A' ' 36' ' ' LEU . 2.0 ttp -53.96 -52.79 59.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -42.81 -46.68 5.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.652 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 74.4 t90 -61.1 -45.51 94.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 107.972 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.503 ' CD1' ' CB ' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -57.29 -44.3 83.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.98 -12.94 29.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m -113.52 -10.31 13.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.652 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 14.2 m-70 -132.86 33.6 3.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.619 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -85.01 -41.65 15.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 110.97 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -104.7 46.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.442 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 0.3 OUTLIER -113.33 154.91 45.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -32.73 5.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.492 1.785 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 76' ' ' ALA . 4.2 m-20 -64.51 -37.53 87.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.564 HG13 ' CD2' ' A' ' 45' ' ' HIS . 4.7 tp -45.81 -30.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -85.49 -37.31 19.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -53.6 144.44 33.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 157.65 42.79 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.549 1.815 . . . . 0.0 111.037 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 94.3 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.486 ' HB3' ' CA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' ALA . 19.1 t-20 -40.13 138.88 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -75.45 -20.75 58.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.348 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -53.15 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.514 ' CD1' ' HB3' ' A' ' 55' ' ' ASN . 3.9 mt -61.15 -32.99 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.403 ' CG1' HG21 ' A' ' 37' ' ' VAL . 40.2 t -76.29 -47.1 31.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.26 -32.97 68.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -72.65 -42.33 64.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 61' ' ' ALA . 18.7 mt -71.18 -56.24 6.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.484 ' CG2' ' HA ' ' A' ' 43' ' ' GLN . 84.7 t -48.97 -23.72 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -85.39 -39.07 18.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.005 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.492 ' CE ' ' CG1' ' A' ' 58' ' ' VAL . 14.8 mtm -58.45 -23.33 57.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.37 40.33 0.96 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.434 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 51.2 m-85 -117.19 173.55 6.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.418 ' HB2' ' CG ' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -88.8 118.9 28.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 110.003 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.484 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 42.1 tt0 -38.64 -61.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tp -40.34 -56.7 1.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 4.6 m170 -60.11 -53.2 60.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.597 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.434 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 73.9 m -44.13 -44.28 7.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.145 . . . . 0.0 108.292 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.486 ' CA ' ' HB3' ' A' ' 28' ' ' ALA . 35.2 mt-30 -62.05 -59.82 4.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -48.77 -58.84 4.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.542 ' HA ' ' CE3' ' A' ' 64' ' ' TRP . . . -41.9 -70.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.491 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . . . -42.32 -60.17 1.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 54' ' ' SER . 67.2 mt -48.13 -56.2 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.402 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 5.3 m-80 -48.09 -32.63 7.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 55' ' ' ASN . 7.3 p -107.7 31.33 5.54 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.496 1.122 . . . . 0.0 110.394 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 51' ' ' ILE . 0.3 OUTLIER 38.79 30.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.038 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.514 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 14.8 m-80 47.98 44.4 18.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.37 -14.39 62.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 161.44 159.59 10.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.492 ' CG1' ' CE ' ' A' ' 39' ' ' MET . 95.2 t -57.37 -47.71 84.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.774 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.48 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.5 pt-20 -53.63 -45.08 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.48 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -63.15 -51.48 66.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.337 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.452 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . . . -53.13 -56.88 12.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' LEU . 2.6 ttp -54.8 -53.25 57.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -42.7 -46.51 5.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.667 ' CZ2' ' CG ' ' A' ' 68' ' ' HIS . 74.5 t90 -60.62 -45.38 94.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 108.013 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.471 HD11 ' CB ' ' A' ' 49' ' ' ALA . 1.5 mt -57.66 -40.36 79.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.2 mt -68.29 -8.93 43.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 t -113.56 -19.87 11.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.667 ' CG ' ' CZ2' ' A' ' 64' ' ' TRP . 35.5 m-70 -119.27 21.37 12.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.624 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -72.86 -45.67 57.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -105.32 53.58 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -122.68 154.5 63.5 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.249 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -27.27 10.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' ALA . 2.7 m-20 -68.71 -38.82 80.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.577 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 3.6 tp -45.48 -28.41 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -87.93 -38.07 15.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -49.14 144.03 8.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 151.04 38.82 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.525 1.802 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.5 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -180.0 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.484 ' HB1' ' CA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 28' ' ' ALA . 13.2 t-20 -39.96 146.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -81.51 -24.37 36.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -79.26 -52.14 8.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.448 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 9.5 mt -61.36 -34.61 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.7 t -77.15 -39.26 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -63.3 -34.81 78.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.478 ' NE2' ' CG2' ' A' ' 58' ' ' VAL . 44.6 mt-30 -72.55 -45.98 56.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.472 ' CD2' ' HG3' ' A' ' 62' ' ' MET . 9.0 mt -66.37 -55.16 17.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.4 t -48.78 -24.17 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -83.27 -41.67 18.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.012 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 12.7 mtm -53.66 -28.8 35.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.12 39.92 0.78 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.423 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 31.3 m-85 -111.38 -171.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -105.36 115.32 30.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.972 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 44' ' ' LEU . 60.9 tt0 -37.5 -65.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 43' ' ' GLN . 7.1 tp -37.76 -41.87 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.566 ' CD2' HG13 ' A' ' 74' ' ' ILE . 11.7 m170 -77.79 -48.87 15.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.587 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.423 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 99.2 m -50.14 -29.32 8.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 108.302 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.484 ' CA ' ' HB1' ' A' ' 28' ' ' ALA . 91.3 mt-30 -74.31 -58.94 2.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' ALA . 23.7 mttt -50.73 -58.74 5.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 0.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.596 ' CB ' ' CD1' ' A' ' 65' ' ' LEU . . . -39.24 -71.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.97 -60.81 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.459 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 62.2 mt -46.37 -56.41 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.488 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 5.9 m-80 -48.74 -33.17 9.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.414 ' C ' ' N ' ' A' ' 55' ' ' ASN . 7.6 p -106.82 28.18 8.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.432 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 42.29 28.57 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.414 ' N ' ' C ' ' A' ' 53' ' ' THR . 0.0 OUTLIER 51.5 35.49 14.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.251 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.93 -38.62 65.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.91 158.12 26.76 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.556 1.16 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.478 ' CG2' ' NE2' ' A' ' 35' ' ' GLN . 53.6 t -54.92 -43.5 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 0.785 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 3.6 pt-20 -60.68 -43.38 97.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.457 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -61.78 -51.66 67.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.52 -58.4 6.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.472 ' HG3' ' CD2' ' A' ' 36' ' ' LEU . 3.0 ttp -53.7 -53.44 52.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -42.81 -45.78 4.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.649 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 65.1 t90 -61.43 -45.6 93.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 107.979 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.596 ' CD1' ' CB ' ' A' ' 49' ' ' ALA . 0.6 OUTLIER -56.86 -43.71 81.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.447 ' CD1' ' HE2' ' A' ' 62' ' ' MET . 23.5 mt -65.73 -10.99 41.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -112.78 -12.0 13.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.649 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 13.5 m-70 -131.62 30.68 4.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.635 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -81.43 -43.03 19.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -105.31 58.99 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.354 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.413 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 2.2 m-20 -127.49 156.09 75.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -30.54 7.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.8 OUTLIER -66.76 -38.48 86.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.566 HG13 ' CD2' ' A' ' 45' ' ' HIS . 4.5 tp -47.79 -31.97 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -84.26 -32.04 24.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -60.47 148.88 79.53 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.363 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 157.35 43.16 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.481 1.779 . . . . 0.0 111.047 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 21.9 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.466 ' OD1' ' CB ' ' A' ' 31' ' ' GLU . 21.9 t-20 -39.5 129.17 1.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -65.32 -28.69 69.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.466 ' CB ' ' OD1' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -74.01 -52.32 13.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.406 ' CD1' ' HB3' ' A' ' 55' ' ' ASN . 24.5 mt -58.84 -38.29 71.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 47' ' ' GLN . 48.2 t -72.85 -50.92 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.45 -31.61 46.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -74.77 -43.69 53.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 39' ' ' MET . 14.3 mt -69.23 -58.09 4.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.483 ' CG2' ' HA ' ' A' ' 43' ' ' GLN . 70.9 t -45.61 -26.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -82.37 -40.61 21.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.974 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' LEU . 12.8 mtm -55.34 -26.9 43.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.92 38.91 0.93 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.558 1.161 . . . . 0.0 111.034 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.437 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 38.6 m-85 -113.48 -173.92 2.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.416 ' HB2' ' ND1' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -99.57 118.5 36.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 109.974 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.483 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 55.7 tt0 -38.54 -63.44 0.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' GLN . 8.1 tp -38.94 -57.66 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.173 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 4.1 m170 -61.65 -51.96 66.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.592 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.437 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 89.2 m -43.43 -45.48 6.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 108.316 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.477 ' HB3' ' CB ' ' A' ' 28' ' ' ALA . 78.5 mt-30 -60.09 -59.73 4.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.534 ' O ' ' C ' ' A' ' 49' ' ' ALA . 31.2 mttt -47.75 -62.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.59 ' HA ' ' CE3' ' A' ' 64' ' ' TRP . . . -30.31 -71.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 54' ' ' SER . . . -45.08 -52.32 9.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' LYS . 49.7 mt -55.06 -46.92 77.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.637 ' OD1' ' CZ3' ' A' ' 64' ' ' TRP . 2.3 m120 -64.34 -12.11 38.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 56' ' ' ALA . 12.8 p -127.67 22.5 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.44 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER 42.78 35.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.411 ' CG ' ' C ' ' A' ' 54' ' ' SER . 0.0 OUTLIER 53.15 42.36 32.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 53' ' ' THR . . . -82.65 48.93 1.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.13 153.11 28.6 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.437 ' CG1' ' CE ' ' A' ' 39' ' ' MET . 89.3 t -61.94 -50.17 81.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.469 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.2 pt-20 -49.37 -44.41 44.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -60.98 -48.0 83.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.67 -55.79 26.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' LEU . 2.6 ttm -58.4 -51.82 68.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -43.49 -40.46 3.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.655 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 90.4 t90 -67.49 -46.02 74.15 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.477 ' CD1' ' CB ' ' A' ' 49' ' ' ALA . 0.8 OUTLIER -55.11 -45.5 75.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.9 mt -63.66 -12.42 33.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.42 -5.04 12.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.655 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 12.5 m-70 -136.09 28.78 3.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.583 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -77.59 -45.35 25.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -103.49 58.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.407 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 2.0 m-20 -126.69 156.18 73.86 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -31.19 6.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.793 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.7 m-20 -67.13 -40.91 86.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.509 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 4.2 tp -48.24 -25.31 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 73' ' ' ASP . 0.4 OUTLIER -93.55 -31.84 14.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -53.11 148.47 14.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 148.48 35.28 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 67.5 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 28' ' ' ALA . 18.4 t-20 -39.0 123.38 1.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 1.6 mt-10 -63.69 -28.34 69.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -42.17 67.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.455 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 38.0 mt -70.51 -38.81 75.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.401 HG12 ' CG2' ' A' ' 37' ' ' VAL . 96.4 t -72.92 -53.56 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -47.96 -28.52 2.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.413 ' NE2' HG23 ' A' ' 58' ' ' VAL . 45.6 mt-30 -79.39 -45.25 19.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.328 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.424 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 16.8 mt -67.28 -53.05 33.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.401 ' CG2' HG12 ' A' ' 33' ' ' VAL . 86.9 t -50.9 -22.5 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.43 -38.9 14.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.403 ' HE3' ' CD2' ' A' ' 36' ' ' LEU . 13.0 mtm -58.27 -25.77 62.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.18 39.32 0.88 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 42.4 m-85 -115.7 177.45 4.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.777 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.443 ' HB2' ' CG ' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -93.94 117.78 30.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 44' ' ' LEU . 64.8 tt0 -38.3 -63.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 43' ' ' GLN . 9.0 tp -39.43 -47.99 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.468 ' CB ' HD22 ' A' ' 65' ' ' LEU . 4.6 m170 -71.27 -49.37 43.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.575 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.441 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 73.8 m -46.47 -45.59 18.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 108.258 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.471 ' HB3' ' CB ' ' A' ' 28' ' ' ALA . 36.7 mt-30 -59.74 -57.45 12.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.524 ' O ' ' C ' ' A' ' 49' ' ' ALA . 30.3 mttt -49.36 -61.57 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.571 ' HA ' ' CE3' ' A' ' 64' ' ' TRP . . . -30.97 -71.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' SER . . . -45.47 -51.81 11.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' LYS . 57.5 mt -54.83 -48.51 73.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.641 ' OD1' ' CZ3' ' A' ' 64' ' ' TRP . 2.2 m120 -62.6 -13.68 34.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 56' ' ' ALA . 62.1 p -126.47 23.73 6.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER 40.08 39.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.993 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.415 ' CG ' ' C ' ' A' ' 54' ' ' SER . 0.0 OUTLIER 46.1 40.61 7.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.318 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 53' ' ' THR . . . -63.18 -29.15 70.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 171.73 145.29 4.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.135 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.455 ' HA ' ' CG2' ' A' ' 32' ' ' ILE . 46.7 t -44.9 -55.6 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 5.2 pt-20 -50.17 -43.49 52.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.457 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.2 mt-10 -60.77 -48.48 81.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.411 ' HB1' ' N ' ' A' ' 50' ' ' ALA . . . -53.37 -56.15 19.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.15 . . . . 0.0 109.371 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.471 ' HE1' ' CD1' ' A' ' 66' ' ' LEU . 3.5 ttp -58.08 -53.73 54.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -43.15 -40.47 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.649 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 90.2 t90 -66.68 -47.11 73.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 108.011 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.468 HD22 ' CB ' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -54.53 -43.6 72.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.471 ' CD1' ' HE1' ' A' ' 62' ' ' MET . 23.8 mt -64.56 -11.74 37.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.06 -3.37 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.028 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.649 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 18.9 m-70 -135.93 25.5 3.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.594 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -76.44 -44.59 35.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -103.02 56.18 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.441 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 2.3 m-20 -123.21 155.83 64.17 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -32.21 5.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.4 OUTLIER -66.95 -40.46 87.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 68' ' ' HIS . 3.7 tp -48.18 -26.81 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -91.7 -31.52 15.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -55.61 148.23 36.18 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.84 37.19 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.506 1.793 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -149.76 143.98 25.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 0.745 . . . . 0.0 109.992 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.0 m -103.91 -59.39 1.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.017 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.5 111.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.67 113.62 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 110.027 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 p 179.17 122.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.99 157.69 28.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -128.45 132.38 7.28 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -105.4 -43.13 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 58.76 155.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.87 150.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.579 1.175 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 mt -105.65 156.63 36.17 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -177.43 3.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -107.6 91.22 3.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.57 -92.02 1.33 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.4 p -156.1 134.99 7.66 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 120.95 6.28 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER 61.2 143.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.266 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.415 ' N ' ' HG2' ' A' ' 18' ' ' GLU . 21.2 tt0 59.62 102.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.7 t -84.79 147.85 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.3 154.48 41.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.31 170.61 9.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 t -76.58 108.08 9.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -169.13 75.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -133.93 155.92 79.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.457 ' HG2' ' CG2' ' A' ' 51' ' ' ILE . 18.4 Cg_endo -74.97 176.66 9.61 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.423 1.749 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.443 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 15.4 m -140.46 134.27 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.484 ' HB2' ' CA ' ' A' ' 47' ' ' GLN . . . -62.89 88.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -41.09 139.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 4.6 mp0 -75.93 -24.81 55.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -46.8 19.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.455 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 9.2 mt -67.28 -36.16 75.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.457 ' CG1' HG23 ' A' ' 37' ' ' VAL . 16.8 t -74.7 -50.89 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -53.76 -30.8 46.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.455 ' NE2' ' CG2' ' A' ' 58' ' ' VAL . 36.2 mt-30 -75.59 -46.46 31.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.406 ' CD2' ' HG3' ' A' ' 62' ' ' MET . 12.1 mt -66.92 -49.51 65.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.478 ' CG2' ' HA ' ' A' ' 43' ' ' GLN . 83.9 t -55.03 -19.7 4.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.128 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.65 -40.33 11.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.968 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.469 ' HE3' ' CG1' ' A' ' 58' ' ' VAL . 12.9 mtm -55.65 -27.47 50.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.83 39.21 0.66 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.438 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 50.6 m-85 -117.43 177.3 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 111.006 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -94.12 118.82 32.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.478 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 51.0 tt0 -38.58 -58.53 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 tp -40.34 -56.21 2.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.577 ' CD2' HG13 ' A' ' 74' ' ' ILE . 6.3 m170 -64.5 -50.5 67.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.58 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.438 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 73.3 m -45.64 -35.75 4.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 108.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.484 ' CA ' ' HB2' ' A' ' 28' ' ' ALA . 86.4 mt-30 -70.72 -59.81 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' ALA . 26.7 mttt -49.86 -58.37 5.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.579 ' CB ' ' CD1' ' A' ' 65' ' ' LEU . . . -39.28 -70.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -44.06 -59.83 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.457 ' CG2' ' HG2' ' A' ' 26' ' ' PRO . 55.2 mt -46.86 -55.15 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.4 ' OD1' ' NE1' ' A' ' 64' ' ' TRP . 3.9 m-80 -48.78 -31.38 6.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 50' ' ' ALA . 18.4 p -110.23 26.09 11.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 44.24 28.57 0.29 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.962 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER 54.77 37.89 29.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' THR . . . -55.45 -39.58 70.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.65 150.26 10.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.469 ' CG1' ' HE3' ' A' ' 39' ' ' MET . 71.9 t -47.54 -41.58 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.447 0.734 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 6.4 pt-20 -61.58 -45.24 94.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.5 mt-10 -61.31 -50.31 73.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.95 -57.37 10.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.471 ' HE2' ' CD1' ' A' ' 66' ' ' LEU . 3.0 ttp -55.31 -52.83 62.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -43.16 -45.51 5.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.653 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 76.8 t90 -61.77 -45.54 93.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 107.996 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.579 ' CD1' ' CB ' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -56.88 -44.11 81.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.471 ' CD1' ' HE2' ' A' ' 62' ' ' MET . 26.0 mt -64.69 -11.98 41.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.11 -3.34 12.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.027 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.653 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 23.8 m-70 -134.16 22.64 3.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.595 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -77.47 -40.1 44.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -106.82 59.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -131.21 155.56 81.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -31.73 5.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.1 m-20 -64.64 -39.59 93.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.577 HG13 ' CD2' ' A' ' 45' ' ' HIS . 4.0 tp -46.52 -25.69 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.416 ' N ' ' C ' ' A' ' 73' ' ' ASP . 59.1 m-20 -91.63 -36.64 13.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -52.52 147.21 15.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 152.35 40.49 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.783 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.7 mt -68.78 -51.72 42.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.45 100.04 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.015 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -143.49 -157.61 7.24 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 75.8 3.58 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.464 1.771 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 88.3 p -44.84 146.75 0.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.2 t -175.64 119.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.051 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.27 133.94 2.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 0.765 . . . . 0.0 109.993 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -103.76 -6.03 21.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.984 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.53 -159.7 17.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.12 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -136.03 157.06 47.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.767 . . . . 0.0 109.964 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -135.88 138.76 42.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.2 -137.63 5.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.448 1.093 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -159.2 161.1 31.8 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -91.07 113.89 26.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 0.791 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.1 161.02 1.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -74.12 154.84 38.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' LEU . 1.6 pp -39.46 99.86 0.2 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.0 67.68 5.89 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.516 1.798 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 40.47 89.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -86.87 86.06 1.55 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.471 ' CG1' ' HD2' ' A' ' 17' ' ' PRO . 77.5 t -64.31 142.98 98.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.764 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 16' ' ' VAL . 18.2 Cg_endo -75.02 64.36 6.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -40.23 158.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -114.42 82.31 1.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.344 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 21' ' ' MET . 92.7 t -130.75 141.24 46.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.404 ' N ' HG12 ' A' ' 20' ' ' VAL . 5.0 ptt? -50.67 130.8 25.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -105.7 150.88 25.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -101.03 173.17 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.054 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.72 88.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 23' ' ' SER . 12.9 pt20 -137.73 153.47 74.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.473 ' HG2' ' CG2' ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.05 178.07 7.77 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.5 1.789 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' ASN . 5.5 m -141.3 125.83 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.477 ' HB1' ' CA ' ' A' ' 47' ' ' GLN . . . -52.53 91.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' VAL . 16.8 t-20 -40.21 131.24 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 2.1 mt-10 -69.86 -26.47 64.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.435 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -77.01 -46.26 24.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.469 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 8.4 mt -68.83 -36.75 75.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.2 t -73.33 -47.73 45.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -55.1 -35.89 65.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -70.65 -50.08 40.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.4 -52.65 63.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.48 ' CG2' ' HA ' ' A' ' 43' ' ' GLN . 83.1 t -53.53 -20.81 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.86 -40.77 12.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.967 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.571 ' CE ' ' CG1' ' A' ' 58' ' ' VAL . 12.0 mtm -56.59 -27.27 57.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.004 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.96 41.8 0.58 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.469 1.105 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.436 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 54.4 m-85 -119.22 172.79 7.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.424 ' OG ' ' ND1' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -88.97 117.45 28.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.971 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.48 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 53.1 tt0 -38.28 -60.88 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 tp -39.94 -54.96 2.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.556 ' CD2' HG13 ' A' ' 74' ' ' ILE . 3.8 m170 -63.68 -51.38 65.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.608 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 73.6 m -44.65 -37.77 3.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 108.278 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.477 ' CA ' ' HB1' ' A' ' 28' ' ' ALA . 93.3 mt-30 -68.26 -60.15 2.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -49.75 -54.49 18.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.576 ' HA ' ' CE3' ' A' ' 64' ' ' TRP . . . -44.6 -69.75 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -45.25 -61.27 1.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.473 ' CG2' ' HG2' ' A' ' 26' ' ' PRO . 58.6 mt -45.72 -57.53 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -46.83 -33.62 4.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' SER . 27.0 p -109.42 33.02 4.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' ILE . 0.3 OUTLIER 37.33 35.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 109.975 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.465 ' CB ' HD13 ' A' ' 32' ' ' ILE . 0.1 OUTLIER 41.67 44.39 2.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.6 -16.75 64.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 166.59 161.22 15.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.571 ' CG1' ' CE ' ' A' ' 39' ' ' MET . 93.8 t -60.43 -42.67 91.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 3.7 pt-20 -59.55 -43.07 93.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -63.37 -52.29 62.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.43 -57.32 10.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.468 ' HE3' ' CD1' ' A' ' 66' ' ' LEU . 2.4 ttp -54.52 -53.18 57.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -42.78 -46.71 5.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.654 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 75.7 t90 -60.52 -45.7 92.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 108.028 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.572 ' CD1' ' CB ' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -57.36 -43.78 83.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.468 ' CD1' ' HE3' ' A' ' 62' ' ' MET . 30.6 mt -63.85 -12.52 36.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.12 -6.82 12.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.654 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 21.2 m-70 -132.4 26.93 4.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.621 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -80.12 -45.67 17.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -102.71 57.1 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.37 155.53 76.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -31.6 5.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.4 m-20 -63.76 -39.3 93.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.556 HG13 ' CD2' ' A' ' 45' ' ' HIS . 3.6 tp -45.29 -29.23 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -88.85 -36.89 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -50.27 147.75 7.1 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 155.06 42.79 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 41.0 mt -73.86 -55.47 12.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 m -93.69 75.0 4.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.965 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 40.75 -161.71 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 87.5 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.03 105.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.7 p -64.93 132.08 48.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -165.24 -58.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.763 . . . . 0.0 109.976 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.91 169.35 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.031 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.77 -138.3 10.06 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t 63.34 146.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 109.986 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.1 p -134.07 153.45 51.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.21 -81.86 1.6 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.55 1.156 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -132.58 127.93 5.0 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.21 -36.99 10.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 179.68 101.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 44.15 82.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.47 156.05 76.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 67.16 6.0 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 170.41 99.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.79 82.36 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.461 ' CG2' ' HD2' ' A' ' 17' ' ' PRO . 2.8 p -150.27 142.37 15.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.461 ' HD2' ' CG2' ' A' ' 16' ' ' VAL . 18.4 Cg_endo -74.99 75.79 3.59 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.485 1.782 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.6 71.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -173.86 86.06 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.6 p -121.09 149.23 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.37 144.59 46.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.64 95.79 10.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 0.0 110.259 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.54 146.16 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.84 94.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -120.03 153.69 55.32 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.46 ' HG2' ' CG2' ' A' ' 51' ' ' ILE . 18.4 Cg_endo -74.98 176.7 9.56 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.773 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.452 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 5.1 m -140.33 127.79 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.486 ' HB3' ' CA ' ' A' ' 47' ' ' GLN . . . -55.12 90.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' VAL . 19.3 t-20 -42.03 132.16 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.96 -26.36 63.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.431 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -76.47 -47.03 24.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.448 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 18.0 mt -67.21 -34.73 71.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.442 ' CG1' HG23 ' A' ' 37' ' ' VAL . 21.2 t -74.17 -51.28 24.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.28 -33.02 40.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.505 ' NE2' ' CG2' ' A' ' 58' ' ' VAL . 35.5 mt-30 -73.43 -47.57 40.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.414 ' CD2' ' HG3' ' A' ' 62' ' ' MET . 13.3 mt -65.58 -51.41 59.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.449 ' CG2' ' HA ' ' A' ' 43' ' ' GLN . 71.6 t -52.83 -21.44 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.9 -39.72 12.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.468 ' HE3' ' CG1' ' A' ' 58' ' ' VAL . 12.2 mtm -55.56 -27.66 50.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 110.999 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.31 36.66 0.85 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 44.8 m-85 -114.32 177.52 4.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.414 ' HB2' ' ND1' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -94.09 118.5 31.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.001 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.449 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 56.7 tt0 -39.02 -60.57 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' GLN . 5.8 tp -40.11 -50.54 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 3.7 m170 -69.74 -48.92 57.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.561 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.441 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 71.9 m -47.38 -32.13 4.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 108.26 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.486 ' CA ' ' HB3' ' A' ' 28' ' ' ALA . 94.5 mt-30 -74.05 -59.83 2.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -49.38 -58.05 5.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.591 ' CB ' ' CD1' ' A' ' 65' ' ' LEU . . . -40.13 -71.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.403 ' CA ' ' HB2' ' A' ' 61' ' ' ALA . . . -42.99 -60.19 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.46 ' CG2' ' HG2' ' A' ' 26' ' ' PRO . 52.5 mt -46.47 -56.92 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.42 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 4.7 m-80 -48.81 -32.94 9.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.2 p -107.49 27.74 8.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.349 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.42 ' C ' ' CG ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER 40.67 35.46 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.974 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER 45.14 36.47 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.36 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.78 -31.99 63.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.63 159.34 23.4 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.505 ' CG2' ' NE2' ' A' ' 35' ' ' GLN . 53.4 t -57.63 -42.08 80.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 5.9 pt-20 -61.7 -44.23 97.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 2.3 mt-10 -61.73 -50.94 70.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.403 ' HB2' ' CA ' ' A' ' 50' ' ' ALA . . . -53.05 -58.05 8.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.454 ' HE1' ' CD1' ' A' ' 66' ' ' LEU . 3.4 ttp -53.98 -53.53 51.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -42.56 -46.7 4.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.69 ' CZ2' ' CG ' ' A' ' 68' ' ' HIS . 72.0 t90 -60.47 -45.85 92.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 108.004 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.591 ' CD1' ' CB ' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -57.47 -40.97 79.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.454 ' CD1' ' HE1' ' A' ' 62' ' ' MET . 33.5 mt -67.04 -10.34 48.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.4 t -112.33 -19.15 12.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.69 ' CG ' ' CZ2' ' A' ' 64' ' ' TRP . 35.3 m-70 -118.18 20.67 13.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.593 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -70.75 -49.56 45.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.2 p30 -102.82 54.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -123.97 156.11 66.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -31.24 6.42 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 76' ' ' ALA . 4.1 m-20 -64.53 -38.94 92.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.591 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 4.0 tp -45.85 -27.96 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -90.99 -35.8 14.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -50.05 146.25 8.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 153.76 41.95 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.497 1.788 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 51.7 mt -74.81 -53.95 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m -143.01 72.7 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -149.9 115.03 0.69 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 57.9 4.75 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.24 166.72 27.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.6 t -144.83 79.56 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.983 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.59 143.0 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.994 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -154.28 131.06 10.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.981 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.04 -95.77 0.31 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m -135.89 128.32 30.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 110.003 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 p -129.29 170.71 13.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.97 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.26 -102.29 1.05 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 168.77 -157.52 29.66 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -172.85 -39.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 39.86 80.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 mt -48.71 159.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.475 ' C ' ' CD2' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -52.48 150.22 9.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.405 ' N ' HD22 ' A' ' 12' ' ' LEU . 18.3 Cg_endo -75.0 -89.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -84.07 112.56 20.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -122.71 -101.04 1.57 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.464 ' CG1' ' HD2' ' A' ' 17' ' ' PRO . 76.9 t -81.73 142.91 49.7 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.444 0.732 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.464 ' HD2' ' CG1' ' A' ' 16' ' ' VAL . 18.2 Cg_endo -75.02 55.97 4.12 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 60.63 121.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -173.04 99.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.6 p -174.34 142.21 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.77 157.99 35.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.23 139.75 8.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.2 p -167.73 159.6 11.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 56.3 82.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -157.17 151.87 20.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.473 ' HG2' ' CG2' ' A' ' 51' ' ' ILE . 18.4 Cg_endo -75.01 177.49 8.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.457 1.767 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' ASN . 4.1 m -140.58 124.46 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.488 ' HB1' ' CA ' ' A' ' 47' ' ' GLN . . . -52.63 91.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 27' ' ' VAL . 16.8 t-20 -40.07 131.51 1.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -68.64 -27.52 66.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.401 ' CB ' ' OD1' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -75.44 -51.92 11.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.441 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 19.7 mt -60.26 -38.75 78.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.423 ' CG1' HG21 ' A' ' 37' ' ' VAL . 27.5 t -72.55 -44.52 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -59.14 -30.01 67.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -77.25 -45.19 27.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.2 mt -67.78 -47.78 68.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.439 ' CG2' ' HA ' ' A' ' 43' ' ' GLN . 83.8 t -57.12 -18.13 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.35 -38.57 11.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.99 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.459 ' HE3' ' CG1' ' A' ' 58' ' ' VAL . 13.0 mtm -58.95 -25.82 63.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.86 41.45 0.66 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.445 1.09 . . . . 0.0 110.977 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.443 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 54.7 m-85 -119.5 174.13 6.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.444 ' OG ' ' ND1' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -91.01 118.21 30.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.001 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.439 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 56.9 tt0 -39.12 -60.85 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' GLN . 5.1 tp -40.04 -52.75 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 3.6 m170 -66.8 -50.3 63.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.618 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.443 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 75.4 m -45.26 -36.35 3.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 108.353 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.488 ' CA ' ' HB1' ' A' ' 28' ' ' ALA . 87.5 mt-30 -69.1 -60.15 2.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 49' ' ' ALA . 24.6 mttt -48.92 -58.75 4.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.586 ' CB ' ' CD1' ' A' ' 65' ' ' LEU . . . -38.77 -71.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -43.48 -60.06 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.473 ' CG2' ' HG2' ' A' ' 26' ' ' PRO . 57.9 mt -46.76 -57.59 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.426 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 6.8 m-80 -49.09 -24.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' ALA . 41.3 p -117.18 30.88 7.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.406 ' C ' ' CG ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER 39.87 32.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER 47.07 38.99 7.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.54 -41.64 77.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.52 149.51 11.13 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.459 ' CG1' ' HE3' ' A' ' 39' ' ' MET . 57.9 t -46.13 -47.38 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.2 pt-20 -55.4 -44.32 76.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.6 mt-10 -61.94 -51.17 69.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.42 ' HB3' ' N ' ' A' ' 50' ' ' ALA . . . -52.67 -57.89 8.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.452 ' HE1' ' CD1' ' A' ' 66' ' ' LEU . 2.8 ttp -53.95 -53.49 52.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -43.07 -46.6 5.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.652 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 73.6 t90 -60.64 -44.96 95.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 107.997 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.586 ' CD1' ' CB ' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -58.46 -42.71 88.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.353 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.452 ' CD1' ' HE1' ' A' ' 62' ' ' MET . 36.5 mt -63.98 -12.42 37.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.27 -8.93 12.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.652 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 14.7 m-70 -131.46 29.3 4.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.624 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -81.7 -45.42 15.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -102.72 57.14 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.19 155.67 73.38 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -31.61 6.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.436 1.756 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.2 OUTLIER -64.92 -37.86 89.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.596 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 4.0 tp -47.51 -25.11 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 73' ' ' ASP . 0.1 OUTLIER -91.33 -35.48 14.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -54.13 147.18 27.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 154.62 42.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.802 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 21.1 mt -70.99 -48.17 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.52 78.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.036 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -90.64 166.61 31.68 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.562 1.164 . . . . 0.0 110.984 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 83.82 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.1 t -56.25 138.25 50.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.6 t -157.67 -59.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.031 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 0.0 111.028 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 p -126.07 101.74 6.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 110.03 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.09 161.26 23.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.976 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.13 154.89 19.91 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.459 1.1 . . . . 0.0 111.036 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 t -129.8 108.0 9.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 110.048 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.26 94.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.21 -162.63 32.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.25 151.66 10.82 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.51 105.84 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.782 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -133.6 104.02 6.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.344 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 64.3 128.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 tp -113.47 112.93 48.5 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 132.64 15.61 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.547 1.814 . . . . 0.0 111.002 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -124.17 -49.86 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -158.6 69.66 0.26 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 35.4 m -145.71 154.68 52.24 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.486 0.756 . . . . 0.0 109.321 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 64.42 6.12 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -159.5 134.44 8.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -179.49 74.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.2 p -157.51 147.48 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.85 166.64 15.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -162.45 94.6 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.2 p -160.04 166.81 29.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.0 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.43 99.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -127.46 154.77 77.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.459 ' HG2' ' CG2' ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.99 176.36 10.01 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.451 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 6.3 m -142.22 129.54 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.476 ' HB3' ' CA ' ' A' ' 47' ' ' GLN . . . -56.6 90.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 27' ' ' VAL . 15.8 t-20 -41.62 135.81 2.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 4.8 mt-10 -70.26 -27.65 64.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -51.52 11.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 17.3 mt -61.47 -38.79 80.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.449 ' CG1' HG21 ' A' ' 37' ' ' VAL . 56.8 t -71.72 -43.73 69.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -60.71 -32.51 71.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -74.36 -44.54 51.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.423 ' CD2' ' HG3' ' A' ' 62' ' ' MET . 14.5 mt -69.39 -49.98 50.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.449 HG21 ' CG1' ' A' ' 33' ' ' VAL . 81.8 t -54.77 -19.93 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.25 -39.97 11.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.466 ' HE3' ' CG1' ' A' ' 58' ' ' VAL . 12.2 mtm -54.44 -27.04 34.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.38 37.61 0.84 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.434 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 42.1 m-85 -113.89 -174.15 2.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.766 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -103.04 118.04 35.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.443 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 50.2 tt0 -38.18 -60.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.266 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 tp -39.98 -52.01 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.599 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 3.8 m170 -68.98 -49.32 58.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.613 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.434 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 73.7 m -47.19 -30.99 3.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 108.288 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.476 ' CA ' ' HB3' ' A' ' 28' ' ' ALA . 32.2 mt-30 -75.34 -59.7 2.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.455 ' CG ' HG12 ' A' ' 78' ' ' ILE . 25.7 mttt -49.56 -55.2 14.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.584 ' CB ' ' CD1' ' A' ' 65' ' ' LEU . . . -43.95 -70.23 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -44.54 -60.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.459 ' CG2' ' HG2' ' A' ' 26' ' ' PRO . 56.3 mt -46.24 -55.3 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.46 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 5.1 m-80 -48.37 -33.23 8.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 50' ' ' ALA . 17.8 p -108.02 27.55 9.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.387 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.87 28.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER 53.04 35.67 20.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.96 -43.23 66.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.71 155.58 25.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.143 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.466 ' CG1' ' HE3' ' A' ' 39' ' ' MET . 40.2 t -53.09 -40.68 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 3.9 pt-20 -63.0 -43.24 99.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -61.78 -51.47 68.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.41 -58.26 7.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.472 ' HE2' ' CD1' ' A' ' 66' ' ' LEU . 2.9 ttp -54.0 -53.24 55.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -43.61 -45.4 6.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.652 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 67.4 t90 -61.69 -44.39 97.04 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.584 ' CD1' ' CB ' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -58.56 -43.62 89.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.472 ' CD1' ' HE2' ' A' ' 62' ' ' MET . 26.1 mt -65.27 -11.52 42.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.01 -11.89 13.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 110.003 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.652 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 15.1 m-70 -130.05 29.37 4.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.596 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -79.69 -45.3 19.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -103.43 63.45 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.85 156.11 80.44 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -30.71 6.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.5 OUTLIER -66.14 -39.18 89.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.599 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 4.1 tp -47.58 -25.65 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.4 -34.21 14.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -55.73 145.68 50.2 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 152.18 40.3 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.48 1.779 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.455 HG12 ' CG ' ' A' ' 48' ' ' LYS . 92.9 mt -71.03 -54.3 18.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 97.7 p -155.44 71.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -165.86 135.78 3.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 179.71 5.83 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 m -163.77 111.01 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 87.0 p -52.09 155.22 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -162.85 -68.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.983 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -169.1 170.48 8.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.979 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.27 176.73 19.83 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.91 165.31 11.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.93 145.87 37.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.48 155.66 6.7 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.123 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 9' ' ' GLU . . . 152.77 -97.65 0.17 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 1.8 tm-20 81.59 -72.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 0.733 . . . . 0.0 110.264 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 68.69 150.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 79.08 121.69 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -105.16 154.76 38.6 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -58.25 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 0.0 111.004 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -41.63 117.7 0.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 166.13 -71.25 0.18 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.5 p -49.47 106.57 0.64 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.423 0.72 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.34 21.57 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.01 176.69 8.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -78.65 70.4 4.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 t -92.98 35.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.29 143.34 18.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -178.62 176.29 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.81 101.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.035 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -176.29 102.02 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -107.68 149.46 38.96 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.486 ' HG2' ' CG2' ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.02 179.02 6.5 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.527 1.804 . . . . 0.0 111.024 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' ASN . 3.8 m -139.63 123.62 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.483 ' HB1' ' CA ' ' A' ' 47' ' ' GLN . . . -53.3 91.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' VAL . 16.5 t-20 -39.6 128.14 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -25.13 63.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' CB ' ' OD1' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -76.45 -42.83 42.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.467 HD12 ' CB ' ' A' ' 55' ' ' ASN . 13.6 mt -71.83 -34.55 51.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.446 ' CG1' HG23 ' A' ' 37' ' ' VAL . 44.0 t -74.57 -51.92 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.1 -35.12 46.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -71.23 -48.98 48.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.324 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 61' ' ' ALA . 10.0 mt -63.83 -57.32 10.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.477 ' CG2' ' HA ' ' A' ' 43' ' ' GLN . 90.8 t -46.07 -26.13 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -82.99 -42.08 17.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.03 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.461 ' HE1' ' CG1' ' A' ' 58' ' ' VAL . 11.7 mtm -54.89 -29.42 55.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.74 41.23 0.5 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.433 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 52.6 m-85 -118.46 175.26 5.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 0.764 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.476 ' HB2' ' CG ' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -91.99 118.03 30.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.477 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 58.9 tt0 -38.42 -62.49 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 tp -40.75 -51.07 3.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 7.2 m170 -65.15 -52.35 55.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.556 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.433 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 73.4 m -45.87 -40.85 10.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 108.342 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.483 ' CA ' ' HB1' ' A' ' 28' ' ' ALA . 94.5 mt-30 -63.45 -59.23 4.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.408 ' CG ' HG12 ' A' ' 78' ' ' ILE . 28.3 mttt -50.82 -58.52 5.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.564 ' HA ' ' CE3' ' A' ' 64' ' ' TRP . . . -40.17 -71.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -43.1 -59.02 2.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.486 ' CG2' ' HG2' ' A' ' 26' ' ' PRO . 62.8 mt -47.66 -58.41 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.56 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 11.2 m-80 -49.53 -23.7 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 50' ' ' ALA . 31.9 p -117.56 30.0 7.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER 37.53 36.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.017 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.467 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.1 OUTLIER 42.21 44.04 3.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.37 -35.13 76.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.36 153.02 12.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.461 ' CG1' ' HE1' ' A' ' 39' ' ' MET . 75.8 t -50.81 -42.19 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.5 pt-20 -60.13 -45.17 93.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.478 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.1 mt-10 -60.9 -48.94 79.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.445 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . . . -53.39 -56.02 20.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.3 ttm -57.51 -51.19 70.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -46.38 -38.85 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.651 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 53.7 t90 -70.01 -38.82 76.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 107.994 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 62' ' ' MET . 1.2 mt -65.21 -40.93 94.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.5 mt -68.81 -9.2 49.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 t -113.43 -18.4 12.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.056 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.651 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 26.8 m-70 -119.61 19.1 12.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.599 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -70.93 -45.32 64.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -104.29 60.36 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.412 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 0.4 OUTLIER -132.3 155.42 81.3 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -31.34 6.28 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.5 m-20 -64.12 -38.99 93.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.58 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 4.4 tp -45.3 -29.17 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.12 -36.25 14.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -48.94 147.09 4.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 154.96 42.87 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.449 1.763 . . . . 0.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.408 HG12 ' CG ' ' A' ' 48' ' ' LYS . 73.5 mt -77.07 -53.07 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.62 67.23 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.034 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.08 179.02 26.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.02 9.14 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.481 1.779 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.37 -60.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.3 t -71.21 -59.31 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.968 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.45 1.094 . . . . 0.0 111.015 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -119.54 138.31 53.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.033 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 m -163.04 157.9 21.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.17 62.38 0.31 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 m -157.08 150.0 23.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 110.016 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -124.34 162.51 23.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.0 -141.8 8.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -109.03 161.78 13.02 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.91 -44.84 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 0.792 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -98.28 134.54 41.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.418 ' CD2' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -161.05 127.97 4.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -174.15 153.27 1.96 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.41 29.26 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.13 91.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.16 90.21 1.4 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 12.9 p -55.77 135.0 72.39 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.783 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 16' ' ' VAL . 18.4 Cg_endo -74.98 115.52 4.31 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.93 128.95 39.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.98 54.69 3.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.5 p -170.47 149.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.83 146.07 29.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -174.13 67.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m 40.04 79.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.36 106.73 2.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -110.71 151.81 43.09 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.461 ' HG2' ' CG2' ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.95 177.16 8.95 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.453 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 5.8 m -141.74 126.44 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.487 ' HB2' ' CA ' ' A' ' 47' ' ' GLN . . . -53.91 91.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' VAL . 14.6 t-20 -42.45 132.54 3.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -69.05 -27.93 66.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.263 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -51.95 12.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.5 mt -60.14 -40.66 84.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.41 -45.26 75.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -58.05 -32.88 68.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -74.02 -47.23 38.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.461 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 14.2 mt -65.22 -55.55 17.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.48 ' CG2' ' HA ' ' A' ' 43' ' ' GLN . 78.6 t -48.49 -24.41 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -84.74 -41.9 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.031 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.45 ' HE1' ' CG1' ' A' ' 58' ' ' VAL . 11.1 mtm -55.02 -29.51 57.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.76 40.86 0.55 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.434 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 52.5 m-85 -118.01 174.35 6.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.449 ' OG ' ' ND1' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -89.84 117.28 28.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.48 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 54.7 tt0 -38.59 -61.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 tp -40.42 -54.79 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 4.1 m170 -63.07 -52.05 64.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.62 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.434 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 71.4 m -44.46 -41.05 6.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 108.268 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.487 ' CA ' ' HB2' ' A' ' 28' ' ' ALA . 87.3 mt-30 -63.52 -59.88 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HE2' ' CG1' ' A' ' 78' ' ' ILE . 17.4 mttm -49.86 -59.05 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.565 ' HA ' ' CE3' ' A' ' 64' ' ' TRP . . . -38.88 -71.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -42.97 -60.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.461 ' CG2' ' HG2' ' A' ' 26' ' ' PRO . 58.0 mt -47.09 -56.96 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.569 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 8.1 m-80 -49.38 -25.69 2.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.1 p -115.55 28.88 8.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.378 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.426 ' C ' ' CG ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER 40.77 33.48 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.007 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER 47.15 37.23 5.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.69 -41.56 67.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.43 160.44 33.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.45 ' CG1' ' HE1' ' A' ' 39' ' ' MET . 29.0 t -57.47 -44.49 84.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.451 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.2 pt-20 -59.91 -42.96 95.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.451 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.8 mt-10 -61.25 -48.52 81.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.461 ' HB1' ' CD1' ' A' ' 36' ' ' LEU . . . -53.06 -55.57 22.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.4 ttm -57.96 -51.69 68.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -44.93 -40.12 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.657 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 65.4 t90 -67.77 -41.97 82.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 108.003 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.471 HD21 ' CB ' ' A' ' 45' ' ' HIS . 1.1 mt -61.52 -43.77 98.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.9 mt -65.36 -11.31 40.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -112.98 -12.81 13.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.029 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.657 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 12.5 m-70 -130.03 30.54 4.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.57 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -82.23 -42.35 19.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.956 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -104.85 59.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -129.47 155.33 80.33 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -31.42 6.29 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.486 1.782 . . . . 0.0 111.004 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.1 m-20 -64.24 -39.41 93.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.574 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 3.7 tp -45.94 -27.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 73' ' ' ASP . 27.2 m-20 -90.18 -37.11 14.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -50.31 146.97 8.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 150.38 37.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.416 ' CG1' ' HE2' ' A' ' 48' ' ' LYS . 27.8 mt -68.1 -52.32 39.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.2 m -149.3 81.22 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -162.02 170.92 37.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.28 14.77 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 84.0 p -146.13 142.06 28.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.19 108.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.021 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -178.97 169.3 1.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 0.757 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.13 159.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.961 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.64 -79.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.7 85.09 2.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.763 . . . . 0.0 109.96 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -85.29 109.51 18.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.49 -132.93 3.25 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 151.1 -28.07 1.0 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -112.7 28.03 9.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -39.22 133.5 1.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mp -92.35 178.57 5.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.24 157.9 33.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 167.72 26.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.61 95.85 5.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -92.38 83.38 1.15 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 17' ' ' PRO . 72.9 t -55.49 142.48 60.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 16' ' ' VAL . 18.5 Cg_endo -74.97 65.68 6.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.496 1.787 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.79 145.87 49.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.5 56.1 3.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.6 t 63.56 150.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.246 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.1 mtt -80.76 172.96 13.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -91.68 57.59 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.0 t 178.68 97.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.061 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 177.95 102.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -107.13 150.93 40.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.461 ' HG2' ' CG2' ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.03 176.34 10.05 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.453 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 4.3 m -139.99 131.03 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.488 ' HB3' ' CA ' ' A' ' 47' ' ' GLN . . . -59.25 89.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -42.05 126.47 3.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 7.2 mt-10 -66.49 -24.23 66.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.339 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.77 -47.63 18.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.253 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.453 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 17.0 mt -66.41 -39.51 84.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.418 ' CG1' HG21 ' A' ' 37' ' ' VAL . 40.6 t -71.28 -50.13 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -51.91 -31.34 28.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.409 ' NE2' HG22 ' A' ' 58' ' ' VAL . 34.9 mt-30 -75.97 -46.81 27.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.417 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 8.3 mt -65.69 -55.54 16.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.418 HG21 ' CG1' ' A' ' 33' ' ' VAL . 74.1 t -48.6 -24.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -85.17 -40.85 16.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.3 mtm -55.78 -28.58 56.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.3 41.46 0.58 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.092 . . . . 0.0 111.034 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.431 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 50.0 m-85 -117.92 172.87 7.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.478 ' HB2' ' CG ' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -89.9 115.31 27.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.984 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 44' ' ' LEU . 49.7 tt0 -39.04 -63.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' GLN . 6.3 tp -39.24 -42.07 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.586 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 8.2 m170 -75.97 -49.44 17.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.616 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.431 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 97.2 m -48.81 -40.7 30.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 108.309 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.488 ' CA ' ' HB3' ' A' ' 28' ' ' ALA . 35.5 mt-30 -62.81 -57.5 10.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -52.89 -58.14 7.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.566 ' HA ' ' CE3' ' A' ' 64' ' ' TRP . . . -40.19 -72.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -43.29 -61.99 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.461 ' CG2' ' HG2' ' A' ' 26' ' ' PRO . 59.2 mt -45.08 -57.29 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.522 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 3.2 m-80 -49.01 -31.53 7.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' ALA . 3.1 p -107.9 26.62 10.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.84 27.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER 53.21 34.24 17.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.72 -45.02 48.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.09 152.24 18.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.428 1.08 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.453 ' HA ' ' CG2' ' A' ' 32' ' ' ILE . 57.5 t -48.12 -45.66 12.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.477 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.8 pt-20 -57.94 -45.0 87.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.477 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -61.71 -48.47 80.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.4 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.04 -54.83 29.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.138 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.5 ttm -58.83 -50.82 72.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -45.97 -39.07 8.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.655 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 52.7 t90 -68.44 -41.07 80.83 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.463 HD22 ' CB ' ' A' ' 45' ' ' HIS . 1.2 mt -62.64 -43.67 98.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.3 mt -67.58 -9.82 46.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.86 -5.66 12.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.655 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 22.6 m-70 -132.47 20.09 4.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.624 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -75.05 -40.74 60.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.973 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -104.55 60.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.454 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 0.4 OUTLIER -132.81 154.71 81.54 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.3 4.71 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.802 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 76' ' ' ALA . 2.7 m-20 -63.97 -38.32 90.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.586 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 4.5 tp -46.12 -27.73 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.28 -36.77 15.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -49.91 145.05 9.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 153.7 41.94 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.452 1.764 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 26.1 mt -74.38 -50.49 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.1 t -111.47 106.18 14.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 110.028 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -37.88 121.18 0.94 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.117 . . . . 0.0 111.024 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 157.18 42.85 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.507 1.793 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.9 m -156.18 173.1 17.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 110.017 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 m -101.31 132.87 46.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.973 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 p -93.59 139.56 30.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 0.794 . . . . 0.0 109.999 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 p -137.84 94.71 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.4 -177.27 42.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.547 1.155 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.0 t -121.13 129.79 53.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.59 85.4 1.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.46 132.19 2.6 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.41 -132.05 5.09 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.81 -39.62 94.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.794 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 44.84 77.49 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.86 145.79 28.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 pp -78.04 154.61 80.18 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 167.97 25.85 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 178.23 90.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -158.4 60.67 0.32 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.2 p -52.27 107.59 0.87 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 66.81 6.02 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.55 1.816 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -41.89 153.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 20' ' ' VAL . 0.6 OUTLIER -126.42 68.72 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 19' ' ' GLU . 0.4 OUTLIER 55.51 168.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.7 ttt -78.36 120.75 23.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -153.6 157.99 40.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.94 90.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.519 ' O ' ' CB ' ' A' ' 25' ' ' GLN . . . -134.55 51.81 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER 88.41 152.55 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.482 ' HG2' ' CG2' ' A' ' 51' ' ' ILE . 18.5 Cg_endo -74.98 177.91 7.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 0.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' ASN . 3.8 m -140.21 123.83 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.482 ' HB2' ' CA ' ' A' ' 47' ' ' GLN . . . -53.28 91.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' VAL . 13.9 t-20 -39.07 130.13 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -69.94 -25.42 63.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.81 -47.24 26.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.472 HD12 ' CB ' ' A' ' 55' ' ' ASN . 17.3 mt -66.73 -38.37 81.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.422 ' CG1' HG23 ' A' ' 37' ' ' VAL . 25.0 t -71.45 -46.33 64.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -58.55 -27.58 64.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -79.49 -43.84 22.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.416 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 16.3 mt -69.49 -48.25 61.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 43' ' ' GLN . 81.4 t -55.01 -20.93 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.46 -39.85 11.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.979 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.459 ' HE1' ' CG1' ' A' ' 58' ' ' VAL . 11.7 mtm -56.45 -26.86 55.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.44 37.64 0.78 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 53.6 m-85 -115.97 174.79 5.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.446 ' OG ' ' ND1' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -92.31 117.99 30.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.993 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.466 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 55.5 tt0 -38.06 -60.66 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tp -41.31 -52.74 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 7.5 m170 -65.78 -51.06 62.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.622 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.441 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 79.2 m -44.36 -37.44 3.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.482 ' CA ' ' HB2' ' A' ' 28' ' ' ALA . 83.9 mt-30 -68.59 -59.82 2.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.461 ' HE2' ' CG1' ' A' ' 78' ' ' ILE . 19.7 mttt -49.33 -55.36 13.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.572 ' HA ' ' CE3' ' A' ' 64' ' ' TRP . . . -43.1 -69.09 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -45.27 -60.4 2.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.482 ' CG2' ' HG2' ' A' ' 26' ' ' PRO . 58.4 mt -46.52 -57.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.557 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 7.0 m-80 -48.1 -25.04 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' ALA . 12.3 p -119.33 32.44 6.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER 36.99 34.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.984 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.472 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.2 OUTLIER 41.77 44.74 2.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.27 -28.98 70.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.17 148.59 7.81 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.459 ' CG1' ' HE1' ' A' ' 39' ' ' MET . 92.8 t -48.11 -43.81 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.425 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 3.2 pt-20 -58.24 -41.74 84.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -63.36 -50.18 70.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.416 ' HB1' ' CD1' ' A' ' 36' ' ' LEU . . . -53.27 -55.36 25.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.459 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.4 ttm -57.8 -51.84 67.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -45.22 -40.68 7.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.088 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.65 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 74.8 t90 -67.3 -41.4 85.45 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.468 HD12 ' CB ' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -63.54 -41.81 98.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.5 mt -64.96 -11.61 40.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.0 m -116.63 -9.66 11.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.65 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 11.0 m-70 -130.26 27.7 5.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.581 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -76.5 -42.31 43.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -112.06 59.69 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.12 156.17 60.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.405 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 18.3 Cg_endo -75.01 -14.69 21.05 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.461 1.769 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 76' ' ' ALA . 4.1 m-20 -83.86 -39.08 20.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.595 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 3.9 tp -46.17 -30.02 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 72' ' ' PRO . 2.3 p30 -89.17 -34.38 16.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -53.5 146.95 22.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 153.74 42.02 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.464 1.771 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.461 ' CG1' ' HE2' ' A' ' 48' ' ' LYS . 38.8 mt -72.32 -53.56 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.11 77.36 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.64 168.03 33.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -50.88 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.5 1.789 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.4 t -136.79 -58.18 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.4 103.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.78 93.39 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.942 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.72 96.6 1.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.95 -121.07 2.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.0 p -175.72 126.2 0.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 0.732 . . . . 0.0 110.014 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -153.44 91.15 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.057 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.01 144.68 4.55 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.92 153.23 1.59 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -108.61 117.82 35.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 110.321 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.61 101.23 2.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -176.77 80.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mt -174.8 102.54 0.27 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 132.63 15.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.2 t70 174.29 104.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.44 74.23 0.24 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 m -148.43 155.39 42.37 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.512 0.772 . . . . 0.0 109.264 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 58.74 4.94 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 41.66 -161.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -123.81 55.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.481 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 80.9 t -131.65 34.8 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.2 mtt -150.51 173.14 14.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -48.85 176.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.253 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.4 t -39.48 116.58 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.517 ' O ' ' CB ' ' A' ' 25' ' ' GLN . . . -115.3 78.65 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.517 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 0.6 OUTLIER 87.72 151.37 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.456 ' HG2' ' CG2' ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.0 176.68 9.6 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.54 1.811 . . . . 0.0 111.051 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 15.4 m -139.65 133.56 37.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.489 ' HB2' ' CA ' ' A' ' 47' ' ' GLN . . . -62.61 88.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -40.59 139.83 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 4.3 mp0 -76.05 -24.8 55.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.32 -49.16 14.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.449 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 12.3 mt -63.86 -36.78 77.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.448 ' CG1' HG23 ' A' ' 37' ' ' VAL . 46.6 t -74.31 -53.25 17.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -51.52 -29.18 15.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -77.35 -45.79 24.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.409 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 12.2 mt -68.19 -45.38 73.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 43' ' ' GLN . 96.1 t -58.48 -17.52 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.67 -41.42 11.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 21.3 mtm -57.25 -14.76 4.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.0 31.55 4.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.436 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 5.4 m-85 -102.91 -175.17 2.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.444 ' HB2' ' CG ' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -102.93 117.09 33.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.46 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 46.6 tt0 -38.04 -61.07 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.0 tp -40.62 -55.63 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.558 ' CD2' HG13 ' A' ' 74' ' ' ILE . 3.3 m170 -63.59 -51.35 65.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.587 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 73.4 m -45.6 -37.51 5.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 108.338 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.489 ' CA ' ' HB2' ' A' ' 28' ' ' ALA . 34.1 mt-30 -68.65 -60.21 2.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' ALA . 28.0 mttt -48.89 -59.57 3.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.595 ' CB ' ' CD1' ' A' ' 65' ' ' LEU . . . -38.89 -72.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -42.01 -59.58 1.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.456 ' CG2' ' HG2' ' A' ' 26' ' ' PRO . 56.7 mt -47.63 -55.42 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.495 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 3.9 m-80 -49.7 -27.9 5.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.2 p -112.81 25.52 11.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 110.412 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 44.61 27.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER 54.89 36.37 26.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.56 -39.31 67.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.355 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.59 148.11 8.55 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.449 ' HA ' ' CG2' ' A' ' 32' ' ' ILE . 99.8 t -44.77 -50.95 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.763 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.443 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 3.4 pt-20 -53.38 -42.79 67.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.443 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -63.63 -51.22 66.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 49' ' ' ALA . . . -52.26 -56.91 11.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.466 ' HE2' ' CD1' ' A' ' 66' ' ' LEU . 2.9 ttp -54.86 -53.0 61.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -43.2 -46.27 5.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.649 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 69.6 t90 -60.81 -44.81 96.4 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.595 ' CD1' ' CB ' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -58.55 -43.55 89.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.466 ' CD1' ' HE2' ' A' ' 62' ' ' MET . 36.1 mt -62.54 -13.27 28.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.81 -13.96 13.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.019 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.649 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 14.3 m-70 -127.5 32.36 5.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.594 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -84.07 -42.58 15.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.973 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -104.4 46.89 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -114.62 155.34 46.21 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -32.51 5.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 110.995 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 76' ' ' ALA . 2.6 m-20 -63.51 -38.01 89.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.558 HG13 ' CD2' ' A' ' 45' ' ' HIS . 3.8 tp -45.68 -28.57 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -88.78 -37.15 15.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.143 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -50.94 146.75 9.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 151.54 39.51 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 70.1 mt -71.06 -52.37 27.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.6 m -156.72 75.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.031 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 65.12 -166.25 33.39 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 139.83 24.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 0.0 110.955 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.2 m -96.45 135.88 37.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.3 p -65.29 126.67 28.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.941 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 t -173.59 124.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 0.797 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -138.82 -57.77 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.948 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.44 -175.4 34.37 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 p -171.28 163.06 7.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 0.799 . . . . 0.0 109.957 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 m 55.46 105.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.62 -159.99 31.96 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.85 117.86 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -148.53 -45.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -62.97 127.44 31.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.26 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.87 118.33 20.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -52.24 151.14 7.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.487 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 18.4 Cg_endo -75.06 128.13 11.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.36 95.19 4.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.67 85.46 0.73 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.8 p -73.55 138.53 77.56 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 149.93 37.32 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.411 ' O ' ' CB ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -110.13 140.18 44.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' A' ' 18' ' ' GLU . 1.5 mt-10 166.87 125.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.55 87.12 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -134.28 8.82 3.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -124.37 140.34 53.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.357 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.0 t -102.48 120.49 40.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -175.24 87.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -122.17 153.17 61.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.466 ' HG2' ' CG2' ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.01 177.62 8.35 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 29' ' ' ASN . 5.9 m -143.17 124.26 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HB2' ' CA ' ' A' ' 47' ' ' GLN . . . -50.83 93.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' VAL . 18.5 t-20 -44.15 135.32 4.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -70.36 -21.6 62.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 110.338 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.69 -53.53 6.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.486 ' CD1' ' HB3' ' A' ' 55' ' ' ASN . 6.9 mt -60.88 -38.13 78.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 29' ' ' ASN . 83.9 t -71.76 -46.93 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -58.59 -31.58 68.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -74.54 -40.53 61.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.42 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 16.4 mt -73.39 -52.93 12.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 43' ' ' GLN . 93.3 t -52.0 -21.95 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.11 -41.59 13.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.989 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.411 ' HE2' ' CG1' ' A' ' 58' ' ' VAL . 12.7 mtm -55.08 -27.1 42.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.81 37.09 0.85 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.433 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 52.1 m-85 -112.87 177.01 4.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.763 . . . . 0.0 111.03 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.443 ' OG ' ' ND1' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -93.91 116.71 29.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.472 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 57.9 tt0 -37.31 -61.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 tp -40.42 -54.75 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 3.7 m170 -63.88 -51.54 64.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.581 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.433 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 71.5 m -44.03 -38.36 3.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 108.292 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.455 ' CA ' ' HB2' ' A' ' 28' ' ' ALA . 84.0 mt-30 -68.52 -60.5 2.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -48.4 -52.54 21.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.577 ' CB ' ' CD1' ' A' ' 65' ' ' LEU . . . -49.87 -68.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.5 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . . . -44.82 -60.13 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.466 ' CG2' ' HG2' ' A' ' 26' ' ' PRO . 62.6 mt -49.34 -54.94 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.531 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 3.1 m-80 -47.22 -29.26 2.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 55' ' ' ASN . 38.6 p -113.55 34.3 4.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.377 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 51' ' ' ILE . 0.3 OUTLIER 38.02 30.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.5 ' OD1' ' CB ' ' A' ' 50' ' ' ALA . 7.9 m-80 45.24 45.99 9.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.31 -33.97 77.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.51 154.39 16.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.439 ' HA ' ' CG2' ' A' ' 32' ' ' ILE . 76.1 t -50.95 -46.6 30.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.1 pt-20 -56.6 -44.18 80.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.354 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.468 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -61.04 -50.24 74.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.42 ' HB1' ' CD1' ' A' ' 36' ' ' LEU . . . -53.22 -57.18 11.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.7 ttm -55.98 -52.27 64.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.1 -43.54 4.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.652 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 72.4 t90 -65.2 -43.93 89.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 108.04 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.577 ' CD1' ' CB ' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -60.27 -42.13 94.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.1 mt -64.93 -11.55 39.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -114.08 -14.4 12.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.652 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 13.5 m-70 -127.76 31.13 5.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.543 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -82.59 -43.01 17.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -104.81 56.68 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -126.16 155.65 73.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -31.63 6.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.6 OUTLIER -64.03 -39.17 93.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.6 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 3.8 tp -46.54 -25.83 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 73' ' ' ASP . 60.8 m-20 -90.56 -36.69 14.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -52.63 145.28 21.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 154.99 42.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.8 mt -75.11 -53.84 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.65 75.65 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.82 164.79 48.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 60.33 5.41 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.498 1.788 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.1 t 58.18 86.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.5 p -106.78 124.87 50.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.441 1.088 . . . . 0.0 111.004 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.12 147.81 2.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 m -122.87 135.38 54.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.28 155.83 16.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.438 1.086 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.31 161.24 26.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.748 . . . . 0.0 110.023 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.91 103.9 5.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.41 137.53 49.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 10' ' ' GLU . . . -64.75 -73.1 0.61 Allowed Glycine 0 CA--C 1.531 1.06 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 68.92 -63.27 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 0.785 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 8' ' ' GLY . 11.5 mt-10 66.6 134.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 mp -82.24 179.86 7.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mp -100.14 108.84 54.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.236 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 167.45 27.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.538 1.809 . . . . 0.0 111.006 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.32 96.19 5.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.16 -64.23 0.78 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 60.71 150.85 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.791 . . . . 0.0 109.254 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 56.2 4.23 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.461 1.769 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -177.73 48.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.273 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.73 114.08 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.251 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.7 p -172.82 148.16 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.4 mtp -97.65 173.33 7.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.05 144.1 20.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.45 84.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.509 ' O ' ' CB ' ' A' ' 25' ' ' GLN . . . -128.09 83.8 2.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.359 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.509 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 0.4 OUTLIER 86.79 146.32 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.263 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.465 ' HG2' ' CG2' ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.03 177.16 8.96 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.516 1.798 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' ASN . 4.7 m -141.2 125.82 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.483 ' HB1' ' CA ' ' A' ' 47' ' ' GLN . . . -53.19 91.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' VAL . 16.5 t-20 -42.25 130.27 3.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 5.4 mt-10 -69.26 -26.72 64.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -49.55 17.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.112 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.471 HD13 ' CB ' ' A' ' 55' ' ' ASN . 15.4 mt -64.33 -38.47 82.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.452 ' CG1' HG22 ' A' ' 37' ' ' VAL . 56.1 t -71.6 -47.54 57.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -57.21 -33.04 67.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -73.51 -48.06 36.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' MET . 6.7 mt -65.51 -55.79 15.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.462 ' CG2' ' HA ' ' A' ' 43' ' ' GLN . 89.0 t -46.65 -25.64 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -77.25 -41.02 42.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.032 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 36' ' ' LEU . 16.7 mtt -56.82 -29.93 63.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.09 -11.67 5.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.423 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 45.6 m-85 -59.37 174.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -96.83 117.32 30.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.034 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.462 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 54.2 tt0 -35.09 -60.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.2 tp -40.51 -49.6 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.545 ' CD2' HG13 ' A' ' 74' ' ' ILE . 3.7 m170 -68.5 -51.39 43.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.626 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.423 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 76.4 m -45.87 -41.55 11.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 108.304 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.483 ' CA ' ' HB1' ' A' ' 28' ' ' ALA . 33.5 mt-30 -64.6 -59.37 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.451 ' CG ' HG12 ' A' ' 78' ' ' ILE . 28.6 mttt -50.98 -56.59 11.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.574 ' HA ' ' CE3' ' A' ' 64' ' ' TRP . . . -42.82 -70.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -43.48 -60.0 1.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.465 ' CG2' ' HG2' ' A' ' 26' ' ' PRO . 56.4 mt -47.38 -57.08 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.566 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 5.8 m-80 -48.23 -24.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' SER . 35.3 p -119.47 31.83 6.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER 37.38 36.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.029 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.471 ' CB ' HD13 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 42.4 43.51 3.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.69 -38.26 81.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.99 147.1 9.12 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.451 ' HA ' ' CG2' ' A' ' 32' ' ' ILE . 80.1 t -46.69 -36.91 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.487 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.9 pt-20 -64.32 -45.41 88.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.487 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 4.8 mt-10 -62.43 -48.08 81.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 49' ' ' ALA . . . -53.47 -54.94 29.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.2 ttm -58.23 -51.23 70.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -45.34 -40.07 7.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.65 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 66.1 t90 -67.66 -41.47 83.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 107.994 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.467 HD12 ' CB ' ' A' ' 49' ' ' ALA . 0.9 OUTLIER -61.79 -45.4 94.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.9 mt -64.65 -12.09 42.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.91 -6.35 13.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.03 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.65 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 15.6 m-70 -133.54 26.11 4.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.61 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -79.12 -42.12 27.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -105.53 59.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.78 155.42 81.39 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -31.27 6.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.544 1.813 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.0 OUTLIER -64.31 -38.23 90.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.545 HG13 ' CD2' ' A' ' 45' ' ' HIS . 3.9 tp -47.37 -28.99 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.76 -33.17 17.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -56.09 144.03 60.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 158.67 42.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.451 HG12 ' CG ' ' A' ' 48' ' ' LYS . 68.8 mt -78.66 -59.01 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.2 t -122.13 -1.87 9.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.6 -147.74 42.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 148.53 35.37 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.522 1.801 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.74 121.52 37.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.034 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.9 t -156.85 118.12 3.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.471 1.107 . . . . 0.0 110.968 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -116.38 89.17 3.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 0.0 109.944 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -145.63 -58.97 0.33 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.57 144.67 4.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 p -136.59 -58.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 110.008 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.46 107.73 2.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.71 71.52 1.87 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -134.72 -169.06 11.85 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -121.11 -40.73 2.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.744 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.93 -31.61 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 62.04 139.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 69.5 141.82 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 129.15 12.08 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -152.29 80.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.39 83.83 0.13 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.9 p -127.28 106.42 21.61 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.444 0.732 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 97.66 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -164.58 177.09 8.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 58.84 93.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.5 p -149.59 150.96 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.53 26.21 1.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 58.62 160.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.67 78.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 25' ' ' GLN . . . -129.43 95.26 3.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 0.7 OUTLIER 85.64 151.31 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.464 ' HG2' ' CG2' ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.04 176.54 9.79 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.534 1.808 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.46 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 5.5 m -140.01 133.43 35.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.495 ' HB3' ' CA ' ' A' ' 47' ' ' GLN . . . -61.84 88.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -40.62 128.09 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 19.6 mt-10 -67.21 -24.46 65.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.89 -49.91 13.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.456 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 15.9 mt -63.52 -40.89 90.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.42 ' CG1' HG23 ' A' ' 37' ' ' VAL . 37.1 t -70.25 -50.52 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -50.11 -30.88 12.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -76.72 -46.95 23.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.423 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 10.9 mt -65.2 -51.57 60.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.42 HG23 ' CG1' ' A' ' 33' ' ' VAL . 72.1 t -53.96 -20.36 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.84 -40.44 12.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.02 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.1 mtm -56.11 -28.27 57.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.08 41.76 0.58 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.433 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 49.1 m-85 -118.41 176.69 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.421 ' HB2' ' ND1' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -93.49 116.92 29.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.002 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 44' ' ' LEU . 54.3 tt0 -40.48 -61.35 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 43' ' ' GLN . 6.1 tp -40.0 -44.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 6.6 m170 -75.08 -49.08 20.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.583 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.433 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 81.8 m -48.36 -39.81 23.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 108.275 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.495 ' CA ' ' HB3' ' A' ' 28' ' ' ALA . 36.2 mt-30 -63.56 -57.75 9.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' ALA . 22.7 mttt -51.47 -59.81 3.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.56 ' HA ' ' CE3' ' A' ' 64' ' ' TRP . . . -37.89 -73.73 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -42.17 -62.19 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.464 ' CG2' ' HG2' ' A' ' 26' ' ' PRO . 57.7 mt -45.03 -57.44 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.404 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 3.6 m-80 -48.47 -32.03 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.7 p -108.03 27.43 9.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.376 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.2 27.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER 52.46 35.97 19.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.85 -41.78 62.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.26 151.58 13.11 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.456 ' HA ' ' CG2' ' A' ' 32' ' ' ILE . 57.8 t -45.95 -50.93 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.475 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.4 pt-20 -53.42 -44.87 69.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.475 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.4 mt-10 -61.73 -51.38 68.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.83 -56.97 11.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.469 ' HE1' ' CD1' ' A' ' 66' ' ' LEU . 3.0 ttp -55.4 -52.68 62.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.56 -45.68 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.657 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 66.4 t90 -60.99 -45.23 95.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 107.98 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.472 HD11 ' CB ' ' A' ' 49' ' ' ALA . 1.6 mt -57.77 -42.65 84.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.469 ' CD1' ' HE1' ' A' ' 62' ' ' MET . 23.9 mt -67.89 -9.52 45.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.63 -7.73 12.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.657 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 32.0 m-70 -130.66 20.55 5.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -74.89 -42.1 58.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.13 57.0 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.472 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 2.7 m-20 -127.51 155.22 77.15 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -31.91 5.8 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.502 1.79 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.9 OUTLIER -65.81 -37.95 87.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.591 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 5.3 tp -45.85 -27.41 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 73' ' ' ASP . 63.5 m-20 -89.22 -37.36 15.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -49.93 145.45 9.13 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 150.94 38.7 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 43.2 mt -69.38 -50.45 51.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 87.3 p -159.49 73.1 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.039 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 123.73 116.58 2.26 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -40.83 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 76.6 p -110.2 134.05 52.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.994 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.84 128.1 55.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.1 p -120.28 129.76 54.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.973 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.38 124.93 46.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.029 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.43 143.63 11.28 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.142 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.6 m -159.75 -60.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.982 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.0 p 43.67 82.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 110.04 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.43 177.73 34.96 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.49 1.118 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -146.66 174.1 26.64 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -97.05 -40.32 8.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.0 145.3 13.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.6 tp -124.47 119.09 28.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -173.06 151.66 2.16 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 168.57 24.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.6 83.46 1.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.25 78.82 1.2 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.9 128.3 91.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 70.96 5.16 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.485 1.782 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -133.98 152.51 51.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -142.81 57.08 1.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.092 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.2 p -161.06 133.2 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.11 170.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.29 89.74 3.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.88 114.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -126.65 95.31 4.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -147.15 152.63 43.63 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.453 ' HG2' ' CG2' ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.02 176.86 9.36 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.536 1.808 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.447 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 17.3 m -140.98 132.37 28.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.483 ' HB3' ' CA ' ' A' ' 47' ' ' GLN . . . -61.34 89.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.473 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 13.4 t-20 -39.61 146.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.25 -24.77 37.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.243 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -79.2 -50.87 10.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.0 mt -62.24 -33.44 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 29' ' ' ASN . 55.4 t -77.57 -38.81 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.6 -32.87 74.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -74.34 -43.39 56.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.461 ' CD2' ' HE1' ' A' ' 39' ' ' MET . 17.1 mt -69.75 -57.44 5.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.482 ' CG2' ' HA ' ' A' ' 43' ' ' GLN . 77.8 t -45.64 -26.58 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -80.82 -42.1 22.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.962 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.461 ' HE1' ' CD2' ' A' ' 36' ' ' LEU . 12.3 mtt -53.06 -29.27 29.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.108 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.44 -5.53 7.15 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.491 1.12 . . . . 0.0 110.966 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 62' ' ' MET . 44.5 m-85 -68.69 175.9 3.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.443 ' OG ' ' ND1' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -96.27 121.85 38.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.017 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.482 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 61.7 tt0 -38.56 -60.69 0.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tp -40.33 -51.87 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.558 ' CD2' HG13 ' A' ' 74' ' ' ILE . 3.5 m170 -68.2 -49.86 58.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.576 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.437 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 79.2 m -46.44 -33.82 4.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.327 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.483 ' CA ' ' HB3' ' A' ' 28' ' ' ALA . 91.6 mt-30 -71.63 -59.95 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ALA . 26.7 mttt -49.78 -57.77 6.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.587 ' CB ' ' CD1' ' A' ' 65' ' ' LEU . . . -38.6 -71.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -44.2 -60.04 2.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.453 ' CG2' ' HG2' ' A' ' 26' ' ' PRO . 54.9 mt -46.73 -56.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.504 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 6.8 m-80 -49.1 -24.64 1.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.0 p -117.88 28.14 8.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 42.99 27.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.032 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER 53.66 36.89 24.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.24 -41.89 65.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -171.54 157.13 27.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.138 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 37.7 t -53.32 -44.86 55.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.1 pt-20 -59.51 -43.1 93.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.3 mt-10 -61.76 -51.17 69.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.27 -57.19 10.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.561 ' HG3' ' CE2' ' A' ' 41' ' ' PHE . 3.2 ttp -55.25 -53.09 60.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -42.62 -46.27 4.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.64 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 70.0 t90 -61.1 -45.68 93.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.587 ' CD1' ' CB ' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -57.61 -41.27 80.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.471 ' CD1' ' HE2' ' A' ' 62' ' ' MET . 39.5 mt -64.84 -11.69 40.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.6 m -113.25 -16.97 12.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.014 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.64 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 15.5 m-70 -124.46 29.77 6.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.602 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -75.4 -47.89 25.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -107.93 41.22 1.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -98.25 156.93 35.26 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -18.36 18.93 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 111.049 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 76' ' ' ALA . 2.2 m-20 -82.43 -36.24 26.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.558 HG13 ' CD2' ' A' ' 45' ' ' HIS . 3.5 tp -47.93 -36.46 5.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -81.48 -28.98 33.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -65.28 145.56 99.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.237 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 168.12 25.52 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 63.7 mt -84.58 -65.06 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.03 -0.79 9.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 120.44 135.56 4.95 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.82 22.26 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.542 1.812 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.84 -59.5 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.8 p -91.45 171.48 9.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -135.21 -58.26 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 109.965 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -143.34 90.69 2.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.37 84.17 0.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.436 1.085 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.92 138.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.792 . . . . 0.0 109.973 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -106.87 -59.15 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.955 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.66 -158.23 21.82 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -148.09 117.32 0.88 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -79.35 -44.87 20.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 110.271 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -127.43 81.79 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.4 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -51.12 160.68 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.4 tp -73.97 114.1 29.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 132.93 15.91 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.502 1.79 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -174.8 99.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -139.05 88.9 0.2 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.526 1.142 . . . . 0.0 111.007 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.6 p -173.99 128.84 0.48 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 117.23 4.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 110.969 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.98 73.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.441 ' C ' ' CG2' ' A' ' 20' ' ' VAL . 1.1 mt-10 -163.84 66.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.318 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.441 ' CG2' ' C ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER 39.88 80.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.64 156.22 46.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -69.66 168.81 14.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.33 79.01 1.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.018 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -179.51 70.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -147.6 152.83 42.44 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.484 ' HG2' ' CG2' ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.02 179.54 6.0 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.473 1.775 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 29' ' ' ASN . 2.9 m -141.55 121.34 11.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.472 ' HB2' ' CA ' ' A' ' 47' ' ' GLN . . . -51.57 92.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 55' ' ' ASN . 17.2 t-20 -38.73 127.23 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 2.4 mt-10 -67.41 -26.12 66.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.25 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -47.16 27.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.463 HD12 ' CB ' ' A' ' 55' ' ' ASN . 19.7 mt -66.71 -39.41 83.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.445 ' CG1' HG23 ' A' ' 37' ' ' VAL . 53.2 t -71.36 -48.5 53.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -52.72 -31.62 38.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -75.7 -47.46 26.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.426 ' CD2' ' HE2' ' A' ' 39' ' ' MET . 19.0 mt -64.24 -53.43 49.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.473 ' CG2' ' HA ' ' A' ' 43' ' ' GLN . 77.2 t -51.1 -22.56 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.1 -38.58 12.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.003 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.469 ' HE3' ' CG1' ' A' ' 58' ' ' VAL . 11.4 mtm -56.9 -25.51 57.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.21 34.72 1.09 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.436 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 49.6 m-85 -112.97 178.83 4.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.443 ' OG ' ' ND1' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -96.24 118.98 33.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.027 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.473 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 55.1 tt0 -37.94 -59.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.451 HD23 ' CD2' ' A' ' 45' ' ' HIS . 4.6 tp -42.54 -54.64 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 3.4 m170 -64.14 -51.3 64.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.614 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 76.8 m -43.78 -40.04 4.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 108.299 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.472 ' CA ' ' HB2' ' A' ' 28' ' ' ALA . 36.4 mt-30 -67.32 -60.18 2.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -48.44 -56.1 9.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.364 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.577 ' CB ' ' CD1' ' A' ' 65' ' ' LEU . . . -43.21 -69.55 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -44.81 -60.2 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.484 ' CG2' ' HG2' ' A' ' 26' ' ' PRO . 61.1 mt -46.61 -56.56 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.499 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 5.6 m-80 -48.53 -26.31 2.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 50' ' ' ALA . 50.8 p -117.42 30.23 7.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.422 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER 38.08 36.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.977 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.469 ' CB ' ' HB2' ' A' ' 29' ' ' ASN . 0.2 OUTLIER 41.36 45.1 2.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 109.262 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.94 -32.46 74.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.62 148.56 9.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.459 1.1 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.469 ' CG1' ' HE3' ' A' ' 39' ' ' MET . 55.3 t -47.42 -48.71 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.2 pt-20 -55.31 -44.74 76.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 6.6 mm-40 -57.84 -53.69 55.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.73 -59.1 4.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.472 ' HE3' ' CD1' ' A' ' 66' ' ' LEU . 2.2 ttp -52.95 -53.35 51.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -43.22 -47.07 6.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.652 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 73.8 t90 -60.29 -44.19 95.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 108.017 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.577 ' CD1' ' CB ' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -59.96 -42.51 94.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.472 ' CD1' ' HE3' ' A' ' 62' ' ' MET . 37.6 mt -64.05 -12.55 39.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.14 -6.94 11.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.652 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 19.4 m-70 -131.59 26.72 4.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.618 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -80.53 -41.79 23.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -106.7 55.97 0.66 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.13 155.99 70.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -30.84 6.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.788 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.3 m-20 -65.94 -39.12 90.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.598 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 4.3 tp -46.23 -26.12 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 73' ' ' ASP . 57.5 m-20 -91.14 -36.93 13.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -51.58 148.95 8.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 158.67 42.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 0.0 110.998 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.6 mt -77.17 -50.7 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 97.1 p -104.52 95.98 6.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -152.92 160.87 29.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 164.25 33.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.472 1.775 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.6 p 52.52 174.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.2 m 53.25 100.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.9 p -76.29 96.81 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 t -173.78 155.02 2.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 110.038 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.34 98.35 0.19 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.0 p -123.63 166.46 15.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 0.739 . . . . 0.0 109.979 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 p -165.65 -57.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.64 142.16 37.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.14 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.444 ' O ' ' CB ' ' A' ' 9' ' ' GLU . . . -177.19 -140.71 3.74 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.444 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER 82.01 -51.49 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 0.758 . . . . 0.0 110.273 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.34 164.77 38.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' A' ' 12' ' ' LEU . 6.2 tp -94.55 57.72 2.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER 57.41 113.03 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 58.43 4.86 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t0 174.64 -58.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 132.5 -82.39 0.31 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.6 p -171.85 108.81 0.38 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.546 0.792 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 97.95 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.532 1.806 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -118.04 77.99 1.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -153.83 106.81 2.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.3 t -138.06 146.98 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.3 mtt -83.99 47.23 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.13 160.82 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.9 m -59.24 97.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.964 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' A' ' 25' ' ' GLN . . . -131.77 74.4 1.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.513 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 0.7 OUTLIER 87.12 147.13 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.458 ' HG2' ' CG2' ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.02 176.37 10.01 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.524 1.802 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.457 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 6.7 m -142.01 130.1 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.476 ' HB1' ' CA ' ' A' ' 47' ' ' GLN . . . -57.8 90.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 27' ' ' VAL . 17.3 t-20 -41.06 132.25 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.485 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 1.2 mt-10 -68.72 -26.26 65.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -53.72 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.451 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 15.7 mt -59.5 -37.41 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.451 ' CG1' HG22 ' A' ' 37' ' ' VAL . 44.3 t -73.89 -48.33 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -56.54 -34.28 66.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -71.72 -44.84 63.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.468 ' CD2' ' HE3' ' A' ' 39' ' ' MET . 8.3 mt -69.19 -54.39 15.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.451 HG22 ' CG1' ' A' ' 33' ' ' VAL . 78.5 t -48.65 -23.97 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -84.91 -41.37 16.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.974 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.468 ' HE3' ' CD2' ' A' ' 36' ' ' LEU . 11.5 mtm -53.89 -29.41 41.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.55 40.71 0.6 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.545 1.153 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.433 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 39.2 m-85 -114.16 -171.83 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.754 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -105.25 113.21 26.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.014 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 42' ' ' SER . 48.4 tt0 -35.56 -62.34 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' GLN . 5.2 tp -39.29 -47.8 1.75 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.564 ' CD2' HG13 ' A' ' 74' ' ' ILE . 6.8 m170 -72.12 -49.04 39.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.577 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.433 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 92.0 m -49.22 -28.84 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.258 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.476 ' CA ' ' HB1' ' A' ' 28' ' ' ALA . 34.1 mt-30 -76.04 -58.96 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.352 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -50.58 -54.16 24.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.569 ' HA ' ' CE3' ' A' ' 64' ' ' TRP . . . -43.04 -69.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -46.32 -62.81 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.458 ' CG2' ' HG2' ' A' ' 26' ' ' PRO . 51.5 mt -44.12 -50.53 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.514 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 4.2 m-80 -55.31 -37.45 67.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 50' ' ' ALA . 35.5 p -104.94 28.37 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.378 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.428 ' C ' ' CG ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER 40.13 35.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.015 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER 46.22 41.96 9.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' THR . . . -58.46 -23.03 56.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 166.79 156.47 9.68 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.451 ' HA ' ' CG2' ' A' ' 32' ' ' ILE . 46.4 t -50.05 -42.55 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 0.793 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.1 pt-20 -63.56 -41.72 98.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.429 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -60.51 -53.54 56.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.407 ' HB1' ' CD1' ' A' ' 36' ' ' LEU . . . -51.51 -58.73 5.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.45 ' HG3' ' CD2' ' A' ' 36' ' ' LEU . 2.0 ttp -53.96 -52.79 59.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -42.81 -46.68 5.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.652 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 74.4 t90 -61.1 -45.51 94.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 107.972 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.503 ' CD1' ' CB ' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -57.29 -44.3 83.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.98 -12.94 29.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m -113.52 -10.31 13.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.652 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 14.2 m-70 -132.86 33.6 3.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.619 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -85.01 -41.65 15.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 110.97 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -104.7 46.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.442 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 0.3 OUTLIER -113.33 154.91 45.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -32.73 5.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.492 1.785 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 76' ' ' ALA . 4.2 m-20 -64.51 -37.53 87.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.564 HG13 ' CD2' ' A' ' 45' ' ' HIS . 4.7 tp -45.81 -30.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -85.49 -37.31 19.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -53.6 144.44 33.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 157.65 42.79 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.549 1.815 . . . . 0.0 111.037 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 94.3 mt -75.94 -46.9 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.2 p -101.91 99.54 9.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.08 175.46 16.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.468 1.105 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 92.95 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 26.7 m -120.15 170.34 9.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.29 98.53 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.043 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 -179.952 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 t -162.27 147.84 12.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 109.963 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m 61.19 158.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.49 108.08 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.13 . . . . 0.0 111.029 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.2 m -111.05 82.9 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.2 p -178.78 115.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.95 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.94 88.53 0.1 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.44 138.09 4.98 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -120.96 -48.71 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -156.65 168.0 28.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.43 57.1 1.03 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 pp -57.66 155.52 21.02 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.82 6.75 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.535 1.808 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -49.38 112.86 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.06 -70.63 0.85 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.9 p -40.61 131.74 1.76 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 134.29 17.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.523 1.801 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -60.43 173.18 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -127.16 -144.57 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.5 t -107.71 144.53 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.2 170.78 11.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.75 154.07 18.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.83 164.79 27.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 73.55 61.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -157.57 150.97 18.84 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.456 ' HG2' ' CG2' ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.04 177.9 7.99 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 29' ' ' ASN . 6.8 m -139.73 128.59 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.486 ' HB3' ' CA ' ' A' ' 47' ' ' GLN . . . -56.08 91.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 27' ' ' VAL . 19.1 t-20 -40.13 138.88 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -75.45 -20.75 58.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.348 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -53.15 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.514 ' CD1' ' HB3' ' A' ' 55' ' ' ASN . 3.9 mt -61.15 -32.99 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.403 ' CG1' HG21 ' A' ' 37' ' ' VAL . 40.2 t -76.29 -47.1 31.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.26 -32.97 68.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -72.65 -42.33 64.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 61' ' ' ALA . 18.7 mt -71.18 -56.24 6.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.484 ' CG2' ' HA ' ' A' ' 43' ' ' GLN . 84.7 t -48.97 -23.72 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -85.39 -39.07 18.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.005 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.492 ' CE ' ' CG1' ' A' ' 58' ' ' VAL . 14.8 mtm -58.45 -23.33 57.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.37 40.33 0.96 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.434 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 51.2 m-85 -117.19 173.55 6.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.418 ' HB2' ' CG ' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -88.8 118.9 28.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 110.003 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.484 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 42.1 tt0 -38.64 -61.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tp -40.34 -56.7 1.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 4.6 m170 -60.11 -53.2 60.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.597 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.434 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 73.9 m -44.13 -44.28 7.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.145 . . . . 0.0 108.292 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.486 ' CA ' ' HB3' ' A' ' 28' ' ' ALA . 35.2 mt-30 -62.05 -59.82 4.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -48.77 -58.84 4.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.542 ' HA ' ' CE3' ' A' ' 64' ' ' TRP . . . -41.9 -70.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.491 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . . . -42.32 -60.17 1.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.456 ' CG2' ' HG2' ' A' ' 26' ' ' PRO . 67.2 mt -48.13 -56.2 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.402 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 5.3 m-80 -48.09 -32.63 7.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 55' ' ' ASN . 7.3 p -107.7 31.33 5.54 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.496 1.122 . . . . 0.0 110.394 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 51' ' ' ILE . 0.3 OUTLIER 38.79 30.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.038 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.514 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 14.8 m-80 47.98 44.4 18.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.37 -14.39 62.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 161.44 159.59 10.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.492 ' CG1' ' CE ' ' A' ' 39' ' ' MET . 95.2 t -57.37 -47.71 84.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.774 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.48 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.5 pt-20 -53.63 -45.08 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.48 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -63.15 -51.48 66.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.337 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.452 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . . . -53.13 -56.88 12.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' LEU . 2.6 ttp -54.8 -53.25 57.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -42.7 -46.51 5.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.667 ' CZ2' ' CG ' ' A' ' 68' ' ' HIS . 74.5 t90 -60.62 -45.38 94.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 108.013 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.471 HD11 ' CB ' ' A' ' 49' ' ' ALA . 1.5 mt -57.66 -40.36 79.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.2 mt -68.29 -8.93 43.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 t -113.56 -19.87 11.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.667 ' CG ' ' CZ2' ' A' ' 64' ' ' TRP . 35.5 m-70 -119.27 21.37 12.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.624 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -72.86 -45.67 57.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -105.32 53.58 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -122.68 154.5 63.5 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.249 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -27.27 10.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' ALA . 2.7 m-20 -68.71 -38.82 80.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.577 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 3.6 tp -45.48 -28.41 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -87.93 -38.07 15.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -49.14 144.03 8.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 151.04 38.82 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.525 1.802 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.5 mt -69.83 -57.59 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.6 m -140.5 78.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.973 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.47 -174.82 52.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 169.86 21.7 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.782 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -124.1 99.19 6.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.005 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.4 117.38 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m 43.84 83.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 110.036 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 t 45.67 93.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.025 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.19 -138.4 9.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -150.07 157.91 43.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.951 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.28 -58.21 9.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.45 -113.74 3.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.71 -169.72 14.56 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -127.06 6.2 6.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 0.734 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -108.58 -8.76 15.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.9 mt 40.9 70.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.23 125.82 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -81.65 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.1 t70 63.74 73.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.74 74.77 0.95 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.5 p -124.39 103.23 32.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 126.91 10.25 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.521 1.801 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -140.15 116.51 10.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -125.71 86.37 2.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 110.342 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -149.21 171.98 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.89 172.94 11.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -78.49 113.53 16.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER 165.36 77.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.518 ' O ' ' CB ' ' A' ' 25' ' ' GLN . . . -163.59 75.18 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.518 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER 88.28 153.6 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.449 ' HG2' ' CG2' ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.03 177.26 8.83 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 16.0 m -140.38 131.91 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.484 ' HB1' ' CA ' ' A' ' 47' ' ' GLN . . . -59.67 89.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 28' ' ' ALA . 13.2 t-20 -39.96 146.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -81.51 -24.37 36.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -79.26 -52.14 8.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.448 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 9.5 mt -61.36 -34.61 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.7 t -77.15 -39.26 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -63.3 -34.81 78.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.478 ' NE2' ' CG2' ' A' ' 58' ' ' VAL . 44.6 mt-30 -72.55 -45.98 56.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.472 ' CD2' ' HG3' ' A' ' 62' ' ' MET . 9.0 mt -66.37 -55.16 17.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.4 t -48.78 -24.17 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -83.27 -41.67 18.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.012 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 12.7 mtm -53.66 -28.8 35.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.12 39.92 0.78 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.423 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 31.3 m-85 -111.38 -171.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -105.36 115.32 30.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.972 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 44' ' ' LEU . 60.9 tt0 -37.5 -65.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 43' ' ' GLN . 7.1 tp -37.76 -41.87 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.566 ' CD2' HG13 ' A' ' 74' ' ' ILE . 11.7 m170 -77.79 -48.87 15.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.587 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.423 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 99.2 m -50.14 -29.32 8.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 108.302 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.484 ' CA ' ' HB1' ' A' ' 28' ' ' ALA . 91.3 mt-30 -74.31 -58.94 2.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' ALA . 23.7 mttt -50.73 -58.74 5.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 0.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.596 ' CB ' ' CD1' ' A' ' 65' ' ' LEU . . . -39.24 -71.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.97 -60.81 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.459 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 62.2 mt -46.37 -56.41 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.488 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 5.9 m-80 -48.74 -33.17 9.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.414 ' C ' ' N ' ' A' ' 55' ' ' ASN . 7.6 p -106.82 28.18 8.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.432 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 42.29 28.57 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER 51.5 35.49 14.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.251 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.93 -38.62 65.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.91 158.12 26.76 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.556 1.16 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.478 ' CG2' ' NE2' ' A' ' 35' ' ' GLN . 53.6 t -54.92 -43.5 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 0.785 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 3.6 pt-20 -60.68 -43.38 97.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.457 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -61.78 -51.66 67.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.52 -58.4 6.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.472 ' HG3' ' CD2' ' A' ' 36' ' ' LEU . 3.0 ttp -53.7 -53.44 52.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -42.81 -45.78 4.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.649 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 65.1 t90 -61.43 -45.6 93.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 107.979 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.596 ' CD1' ' CB ' ' A' ' 49' ' ' ALA . 0.6 OUTLIER -56.86 -43.71 81.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.447 ' CD1' ' HE2' ' A' ' 62' ' ' MET . 23.5 mt -65.73 -10.99 41.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -112.78 -12.0 13.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.649 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 13.5 m-70 -131.62 30.68 4.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.635 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -81.43 -43.03 19.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -105.31 58.99 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.354 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.413 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 2.2 m-20 -127.49 156.09 75.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -30.54 7.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.8 OUTLIER -66.76 -38.48 86.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.566 HG13 ' CD2' ' A' ' 45' ' ' HIS . 4.5 tp -47.79 -31.97 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -84.26 -32.04 24.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -60.47 148.88 79.53 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.363 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 157.35 43.16 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.481 1.779 . . . . 0.0 111.047 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 21.9 mt -69.72 -8.77 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.07 62.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -153.49 -159.85 9.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 73.42 4.35 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.517 1.798 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 85.0 p -111.39 107.4 16.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.0 m -141.89 -56.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -46.07 117.15 1.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 110.006 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -130.35 -58.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.038 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.41 162.58 2.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.536 1.148 . . . . 0.0 111.04 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.8 m -150.54 -59.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.87 123.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.97 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.95 -171.1 14.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.52 159.35 25.98 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.93 -41.16 3.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 63.42 121.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.78 75.33 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.86 163.32 18.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 58.91 5.07 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -179.36 111.69 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.99 -82.12 0.51 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.5 p -108.72 101.55 44.16 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 87.64 1.29 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.497 1.788 . . . . 0.0 111.04 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -177.99 131.17 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -171.36 87.73 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.2 p -71.92 161.57 4.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.6 ptt? -82.74 127.58 33.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.954 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -164.18 74.88 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.14 169.29 1.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -156.3 74.14 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -154.5 155.74 30.96 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.489 ' HG2' ' CG2' ' A' ' 51' ' ' ILE . 18.4 Cg_endo -75.01 177.8 8.11 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 4.5 m -140.78 124.71 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 47' ' ' GLN . . . -55.88 89.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.466 ' OD1' ' CB ' ' A' ' 31' ' ' GLU . 21.9 t-20 -39.5 129.17 1.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -65.32 -28.69 69.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.466 ' CB ' ' OD1' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -74.01 -52.32 13.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.406 ' CD1' ' HB3' ' A' ' 55' ' ' ASN . 24.5 mt -58.84 -38.29 71.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 47' ' ' GLN . 48.2 t -72.85 -50.92 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.45 -31.61 46.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -74.77 -43.69 53.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 39' ' ' MET . 14.3 mt -69.23 -58.09 4.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.483 ' CG2' ' HA ' ' A' ' 43' ' ' GLN . 70.9 t -45.61 -26.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -82.37 -40.61 21.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.974 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' LEU . 12.8 mtm -55.34 -26.9 43.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.92 38.91 0.93 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.558 1.161 . . . . 0.0 111.034 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.437 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 38.6 m-85 -113.48 -173.92 2.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.416 ' HB2' ' ND1' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -99.57 118.5 36.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 109.974 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.483 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 55.7 tt0 -38.54 -63.44 0.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' GLN . 8.1 tp -38.94 -57.66 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.173 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 4.1 m170 -61.65 -51.96 66.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.592 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.437 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 89.2 m -43.43 -45.48 6.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 108.316 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.477 ' HB3' ' CB ' ' A' ' 28' ' ' ALA . 78.5 mt-30 -60.09 -59.73 4.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.534 ' O ' ' C ' ' A' ' 49' ' ' ALA . 31.2 mttt -47.75 -62.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.59 ' HA ' ' CE3' ' A' ' 64' ' ' TRP . . . -30.31 -71.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 54' ' ' SER . . . -45.08 -52.32 9.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.489 ' CG2' ' HG2' ' A' ' 26' ' ' PRO . 49.7 mt -55.06 -46.92 77.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.637 ' OD1' ' CZ3' ' A' ' 64' ' ' TRP . 2.3 m120 -64.34 -12.11 38.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 56' ' ' ALA . 12.8 p -127.67 22.5 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.44 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER 42.78 35.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER 53.15 42.36 32.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 53' ' ' THR . . . -82.65 48.93 1.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.13 153.11 28.6 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.437 ' CG1' ' CE ' ' A' ' 39' ' ' MET . 89.3 t -61.94 -50.17 81.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.469 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.2 pt-20 -49.37 -44.41 44.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -60.98 -48.0 83.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.67 -55.79 26.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' LEU . 2.6 ttm -58.4 -51.82 68.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -43.49 -40.46 3.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.655 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 90.4 t90 -67.49 -46.02 74.15 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.477 ' CD1' ' CB ' ' A' ' 49' ' ' ALA . 0.8 OUTLIER -55.11 -45.5 75.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.9 mt -63.66 -12.42 33.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.42 -5.04 12.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.655 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 12.5 m-70 -136.09 28.78 3.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.583 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -77.59 -45.35 25.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -103.49 58.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.407 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 2.0 m-20 -126.69 156.18 73.86 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -31.19 6.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.793 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.7 m-20 -67.13 -40.91 86.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.509 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 4.2 tp -48.24 -25.31 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 73' ' ' ASP . 0.4 OUTLIER -93.55 -31.84 14.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -53.11 148.47 14.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 148.48 35.28 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 67.5 mt -72.41 -49.73 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.36 81.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.933 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.83 158.78 14.08 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.459 1.1 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -58.07 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.79 . . . . 0.0 111.01 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.45 82.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.1 p -172.69 148.41 1.9 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.101 . . . . 0.0 110.975 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.2 p -129.08 137.63 51.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.786 . . . . 0.0 110.026 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 p -143.26 149.05 37.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.029 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.31 -82.85 0.08 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.55 94.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.34 133.67 52.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.971 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.5 -92.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 9' ' ' GLU . . . 108.54 -146.97 16.56 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 8' ' ' GLY . 10.1 pt-20 36.95 84.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -100.51 135.08 42.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tt -113.91 81.53 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.18 109.96 54.15 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 57.58 4.57 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.447 1.762 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -72.45 -53.64 11.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 39.06 76.92 0.07 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 13.6 p -51.11 129.82 30.75 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.777 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 16' ' ' VAL . 18.4 Cg_endo -75.01 55.88 4.09 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 56.01 165.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -143.27 65.15 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.2 t 64.31 144.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.2 ptt? -82.6 152.13 26.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -174.37 167.29 4.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.482 ' O ' ' CB ' ' A' ' 24' ' ' ALA . 47.9 m -54.08 174.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.956 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.521 ' O ' ' CB ' ' A' ' 25' ' ' GLN . . . 82.9 57.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.521 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 0.7 OUTLIER 87.96 152.06 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.489 ' HG2' ' CG2' ' A' ' 51' ' ' ILE . 18.4 Cg_endo -74.99 -179.44 4.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.79 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.449 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 5.6 m -139.89 123.95 18.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.246 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 47' ' ' GLN . . . -58.79 88.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 28' ' ' ALA . 18.4 t-20 -39.0 123.38 1.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 1.6 mt-10 -63.69 -28.34 69.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -42.17 67.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.455 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 38.0 mt -70.51 -38.81 75.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.401 HG12 ' CG2' ' A' ' 37' ' ' VAL . 96.4 t -72.92 -53.56 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -47.96 -28.52 2.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.413 ' NE2' HG23 ' A' ' 58' ' ' VAL . 45.6 mt-30 -79.39 -45.25 19.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.328 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.424 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 16.8 mt -67.28 -53.05 33.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.401 ' CG2' HG12 ' A' ' 33' ' ' VAL . 86.9 t -50.9 -22.5 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.43 -38.9 14.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.403 ' HE3' ' CD2' ' A' ' 36' ' ' LEU . 13.0 mtm -58.27 -25.77 62.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.18 39.32 0.88 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 42.4 m-85 -115.7 177.45 4.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.777 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.443 ' HB2' ' CG ' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -93.94 117.78 30.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 44' ' ' LEU . 64.8 tt0 -38.3 -63.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 43' ' ' GLN . 9.0 tp -39.43 -47.99 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.468 ' CB ' HD22 ' A' ' 65' ' ' LEU . 4.6 m170 -71.27 -49.37 43.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.575 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.441 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 73.8 m -46.47 -45.59 18.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 108.258 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.471 ' HB3' ' CB ' ' A' ' 28' ' ' ALA . 36.7 mt-30 -59.74 -57.45 12.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.524 ' O ' ' C ' ' A' ' 49' ' ' ALA . 30.3 mttt -49.36 -61.57 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.571 ' HA ' ' CE3' ' A' ' 64' ' ' TRP . . . -30.97 -71.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' SER . . . -45.47 -51.81 11.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.489 ' CG2' ' HG2' ' A' ' 26' ' ' PRO . 57.5 mt -54.83 -48.51 73.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.641 ' OD1' ' CZ3' ' A' ' 64' ' ' TRP . 2.2 m120 -62.6 -13.68 34.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 56' ' ' ALA . 62.1 p -126.47 23.73 6.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER 40.08 39.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.993 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER 46.1 40.61 7.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.318 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 53' ' ' THR . . . -63.18 -29.15 70.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 171.73 145.29 4.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.135 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.455 ' HA ' ' CG2' ' A' ' 32' ' ' ILE . 46.7 t -44.9 -55.6 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 5.2 pt-20 -50.17 -43.49 52.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.457 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.2 mt-10 -60.77 -48.48 81.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.411 ' HB1' ' N ' ' A' ' 50' ' ' ALA . . . -53.37 -56.15 19.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.15 . . . . 0.0 109.371 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.471 ' HE1' ' CD1' ' A' ' 66' ' ' LEU . 3.5 ttp -58.08 -53.73 54.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -43.15 -40.47 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.649 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 90.2 t90 -66.68 -47.11 73.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 108.011 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.468 HD22 ' CB ' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -54.53 -43.6 72.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.471 ' CD1' ' HE1' ' A' ' 62' ' ' MET . 23.8 mt -64.56 -11.74 37.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.06 -3.37 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.028 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.649 ' ND1' ' CZ2' ' A' ' 64' ' ' TRP . 18.9 m-70 -135.93 25.5 3.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.594 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -76.44 -44.59 35.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -103.02 56.18 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.441 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 2.3 m-20 -123.21 155.83 64.17 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -32.21 5.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.4 OUTLIER -66.95 -40.46 87.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 68' ' ' HIS . 3.7 tp -48.18 -26.81 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -91.7 -31.52 15.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -55.61 148.23 36.18 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.84 37.19 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.506 1.793 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.6 mt -74.49 -50.02 28.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 95.8 p -129.5 87.31 2.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 55.48 171.78 0.1 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.137 . . . . 0.0 111.043 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 63.33 6.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.5 m 61.86 116.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.974 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.8 p -61.71 -57.88 10.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.817 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -41.09 139.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 4.6 mp0 -75.93 -24.81 55.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -46.8 19.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.802 HD12 ' HB3' ' A' ' 55' ' ' ASN . 9.2 mt -67.28 -36.16 75.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 37' ' ' VAL . 16.8 t -74.7 -50.89 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -53.76 -30.8 46.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.514 ' CD ' HG21 ' A' ' 58' ' ' VAL . 53.6 mt-30 -75.59 -46.46 31.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.484 HD11 ' CB ' ' A' ' 61' ' ' ALA . 12.1 mt -66.92 -49.51 65.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.67 HG22 ' HA ' ' A' ' 43' ' ' GLN . 83.9 t -55.03 -19.7 4.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.128 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.65 -40.33 11.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.968 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.427 ' CE ' ' CG1' ' A' ' 58' ' ' VAL . 12.9 mtm -55.65 -27.47 50.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.83 39.21 0.66 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.438 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 50.6 m-85 -117.43 177.3 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 111.006 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -94.12 118.82 32.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.67 ' HA ' HG22 ' A' ' 37' ' ' VAL . 51.0 tt0 -38.58 -58.53 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 tp -40.34 -56.21 2.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.576 ' CD2' HG13 ' A' ' 74' ' ' ILE . 6.3 m170 -64.5 -50.5 67.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.58 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.438 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 73.3 m -45.64 -35.75 4.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 108.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.817 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 86.4 mt-30 -70.72 -59.81 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' ALA . 26.7 mttt -49.86 -58.37 5.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.801 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -39.28 -70.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -44.06 -59.83 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.431 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 55.2 mt -46.86 -55.15 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.4 ' OD1' ' NE1' ' A' ' 64' ' ' TRP . 3.9 m-80 -48.78 -31.38 6.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 49' ' ' ALA . 18.4 p -110.23 26.09 11.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 44.24 28.57 0.29 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.962 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.802 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 54.77 37.89 29.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' THR . . . -55.45 -39.58 70.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.65 150.26 10.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.794 ' HA ' HG23 ' A' ' 32' ' ' ILE . 71.9 t -47.54 -41.58 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.447 0.734 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 6.4 pt-20 -61.58 -45.24 94.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.5 mt-10 -61.31 -50.31 73.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.79 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.95 -57.37 10.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.876 ' HE2' HD11 ' A' ' 66' ' ' LEU . 3.0 ttp -55.31 -52.83 62.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -43.16 -45.51 5.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.653 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 76.8 t90 -61.77 -45.54 93.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 107.996 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.801 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -56.88 -44.11 81.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.876 HD11 ' HE2' ' A' ' 62' ' ' MET . 26.0 mt -64.69 -11.98 41.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.11 -3.34 12.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.027 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.778 ' O ' HD13 ' A' ' 74' ' ' ILE . 23.8 m-70 -134.16 22.64 3.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.595 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -77.47 -40.1 44.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -106.82 59.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.765 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.8 m-20 -131.21 155.56 81.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -31.73 5.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.1 m-20 -64.64 -39.59 93.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.778 HD13 ' O ' ' A' ' 68' ' ' HIS . 4.0 tp -46.52 -25.69 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.416 ' N ' ' C ' ' A' ' 73' ' ' ASP . 59.1 m-20 -91.63 -36.64 13.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -52.52 147.21 15.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.2 Cg_endo -75.04 152.35 40.49 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.783 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.7 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.772 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 31' ' ' GLU . 16.8 t-20 -40.21 131.24 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.486 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 2.1 mt-10 -69.86 -26.47 64.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.435 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -77.01 -46.26 24.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.749 HG23 ' HA ' ' A' ' 58' ' ' VAL . 8.4 mt -68.83 -36.75 75.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 37' ' ' VAL . 38.2 t -73.33 -47.73 45.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -55.1 -35.89 65.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.811 ' OE1' HG21 ' A' ' 58' ' ' VAL . 43.4 mt-30 -70.65 -50.08 40.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.57 HD11 ' CB ' ' A' ' 61' ' ' ALA . 19.3 mt -61.4 -52.65 63.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.628 HG22 ' HA ' ' A' ' 43' ' ' GLN . 83.1 t -53.53 -20.81 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.86 -40.77 12.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.967 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.571 ' CE ' ' CG1' ' A' ' 58' ' ' VAL . 12.0 mtm -56.59 -27.27 57.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.004 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.96 41.8 0.58 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.469 1.105 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.436 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 54.4 m-85 -119.22 172.79 7.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.409 ' HB2' ' ND1' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -88.97 117.45 28.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.971 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.628 ' HA ' HG22 ' A' ' 37' ' ' VAL . 53.1 tt0 -38.28 -60.88 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 tp -39.94 -54.96 2.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.556 ' CD2' HG13 ' A' ' 74' ' ' ILE . 3.8 m170 -63.68 -51.38 65.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.608 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 73.6 m -44.65 -37.77 3.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 108.278 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.772 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 93.3 mt-30 -68.26 -60.15 2.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -49.75 -54.49 18.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.808 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -44.6 -69.75 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -45.25 -61.27 1.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 54' ' ' SER . 58.6 mt -45.72 -57.53 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -46.83 -33.62 4.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 49' ' ' ALA . 27.0 p -109.42 33.02 4.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' ILE . 0.3 OUTLIER 37.33 35.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 109.975 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.694 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.1 OUTLIER 41.67 44.39 2.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.536 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . . . -65.6 -16.75 64.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 166.59 161.22 15.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.811 HG21 ' OE1' ' A' ' 35' ' ' GLN . 93.8 t -60.43 -42.67 91.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 3.7 pt-20 -59.55 -43.07 93.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.536 ' OE1' ' HB3' ' A' ' 56' ' ' ALA . 0.2 OUTLIER -63.37 -52.29 62.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.78 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.43 -57.32 10.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.877 ' HE2' HD11 ' A' ' 66' ' ' LEU . 2.4 ttp -54.52 -53.18 57.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -42.78 -46.71 5.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.654 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 75.7 t90 -60.52 -45.7 92.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 108.028 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.808 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -57.36 -43.78 83.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.877 HD11 ' HE2' ' A' ' 62' ' ' MET . 30.6 mt -63.85 -12.52 36.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.12 -6.82 12.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.759 ' O ' HD13 ' A' ' 74' ' ' ILE . 21.2 m-70 -132.4 26.93 4.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.621 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -80.12 -45.67 17.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -102.71 57.1 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.683 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -127.37 155.53 76.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -31.6 5.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.4 m-20 -63.76 -39.3 93.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.759 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.6 tp -45.29 -29.23 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -88.85 -36.89 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -50.27 147.75 7.1 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.1 Cg_endo -75.02 155.06 42.79 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 41.0 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.773 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 31' ' ' GLU . 19.3 t-20 -42.03 132.16 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.96 -26.36 63.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.431 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -76.47 -47.03 24.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.802 HG23 ' HA ' ' A' ' 58' ' ' VAL . 18.0 mt -67.21 -34.73 71.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.2 t -74.17 -51.28 24.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.28 -33.02 40.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.503 ' CD ' HG21 ' A' ' 58' ' ' VAL . 59.3 mt-30 -73.43 -47.57 40.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.505 HD23 ' CE ' ' A' ' 39' ' ' MET . 13.3 mt -65.58 -51.41 59.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.595 HG22 ' HA ' ' A' ' 43' ' ' GLN . 71.6 t -52.83 -21.44 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.9 -39.72 12.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.505 ' CE ' HD23 ' A' ' 36' ' ' LEU . 12.2 mtm -55.56 -27.66 50.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 110.999 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.31 36.66 0.85 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 44.8 m-85 -114.32 177.52 4.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.414 ' HB2' ' ND1' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -94.09 118.5 31.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.001 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.595 ' HA ' HG22 ' A' ' 37' ' ' VAL . 56.7 tt0 -39.02 -60.57 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' GLN . 5.8 tp -40.11 -50.54 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 3.7 m170 -69.74 -48.92 57.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.561 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.441 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 71.9 m -47.38 -32.13 4.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 108.26 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.773 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 94.5 mt-30 -74.05 -59.83 2.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -49.38 -58.05 5.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.863 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -40.13 -71.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.99 -60.19 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.429 HG12 ' N ' ' A' ' 28' ' ' ALA . 52.5 mt -46.47 -56.92 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.42 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 4.7 m-80 -48.81 -32.94 9.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.677 HG23 ' O ' ' A' ' 49' ' ' ALA . 7.2 p -107.49 27.74 8.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.349 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.42 ' C ' ' CG ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER 40.67 35.46 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.974 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.706 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 45.14 36.47 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.36 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.78 -31.99 63.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.63 159.34 23.4 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.802 ' HA ' HG23 ' A' ' 32' ' ' ILE . 53.4 t -57.63 -42.08 80.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 5.9 pt-20 -61.7 -44.23 97.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 2.3 mt-10 -61.73 -50.94 70.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.775 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.05 -58.05 8.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.871 ' HE2' HD11 ' A' ' 66' ' ' LEU . 3.4 ttp -53.98 -53.53 51.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -42.56 -46.7 4.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.69 ' CZ2' ' CG ' ' A' ' 68' ' ' HIS . 72.0 t90 -60.47 -45.85 92.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 108.004 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.863 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -57.47 -40.97 79.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.871 HD11 ' HE2' ' A' ' 62' ' ' MET . 33.5 mt -67.04 -10.34 48.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.4 t -112.33 -19.15 12.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.768 ' O ' HD13 ' A' ' 74' ' ' ILE . 35.3 m-70 -118.18 20.67 13.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.593 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -70.75 -49.56 45.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.2 p30 -102.82 54.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.738 ' O ' HG22 ' A' ' 74' ' ' ILE . 3.1 m-20 -123.97 156.11 66.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -31.24 6.42 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 76' ' ' ALA . 4.1 m-20 -64.53 -38.94 92.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.768 HD13 ' O ' ' A' ' 68' ' ' HIS . 4.0 tp -45.85 -27.96 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -90.99 -35.8 14.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -50.05 146.25 8.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.3 Cg_endo -75.01 153.76 41.95 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.497 1.788 . . . . 0.0 110.95 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 51.7 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.821 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' ALA . 16.8 t-20 -40.07 131.51 1.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -68.64 -27.52 66.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.401 ' CB ' ' OD1' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -75.44 -51.92 11.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.841 HG23 ' HA ' ' A' ' 58' ' ' VAL . 19.7 mt -60.26 -38.75 78.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.593 ' O ' HG23 ' A' ' 37' ' ' VAL . 27.5 t -72.55 -44.52 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.457 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -59.14 -30.01 67.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -77.25 -45.19 27.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.514 HD11 ' CB ' ' A' ' 61' ' ' ALA . 14.2 mt -67.78 -47.78 68.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 33' ' ' VAL . 83.8 t -57.12 -18.13 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.35 -38.57 11.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.99 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.432 ' CE ' ' CG1' ' A' ' 58' ' ' VAL . 13.0 mtm -58.95 -25.82 63.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.86 41.45 0.66 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.445 1.09 . . . . 0.0 110.977 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.443 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 54.7 m-85 -119.5 174.13 6.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.411 ' OG ' ' ND1' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -91.01 118.21 30.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.001 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.581 ' HA ' HG22 ' A' ' 37' ' ' VAL . 56.9 tt0 -39.12 -60.85 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' GLN . 5.1 tp -40.04 -52.75 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 3.6 m170 -66.8 -50.3 63.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.618 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.443 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 75.4 m -45.26 -36.35 3.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 108.353 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.821 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 87.5 mt-30 -69.1 -60.15 2.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 49' ' ' ALA . 24.6 mttt -48.92 -58.75 4.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.782 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -38.77 -71.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -43.48 -60.06 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 57.9 mt -46.76 -57.59 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.426 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 6.8 m-80 -49.09 -24.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' ALA . 41.3 p -117.18 30.88 7.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.406 ' C ' ' CG ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER 39.87 32.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.614 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 47.07 38.99 7.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.54 -41.64 77.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.52 149.51 11.13 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.841 ' HA ' HG23 ' A' ' 32' ' ' ILE . 57.9 t -46.13 -47.38 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.2 pt-20 -55.4 -44.32 76.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.6 mt-10 -61.94 -51.17 69.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.759 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.67 -57.89 8.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.863 ' HE2' HD11 ' A' ' 66' ' ' LEU . 2.8 ttp -53.95 -53.49 52.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -43.07 -46.6 5.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.652 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 73.6 t90 -60.64 -44.96 95.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 107.997 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.782 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -58.46 -42.71 88.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.353 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.863 HD11 ' HE2' ' A' ' 62' ' ' MET . 36.5 mt -63.98 -12.42 37.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.27 -8.93 12.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.771 ' O ' HD13 ' A' ' 74' ' ' ILE . 14.7 m-70 -131.46 29.3 4.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.624 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -81.7 -45.42 15.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -102.72 57.14 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.765 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.0 OUTLIER -126.19 155.67 73.38 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -31.61 6.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.436 1.756 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.2 OUTLIER -64.92 -37.86 89.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.771 HD13 ' O ' ' A' ' 68' ' ' HIS . 4.0 tp -47.51 -25.11 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 73' ' ' ASP . 0.1 OUTLIER -91.33 -35.48 14.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -54.13 147.18 27.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.4 Cg_endo -75.0 154.62 42.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.802 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 21.1 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.757 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.575 ' O ' HG23 ' A' ' 33' ' ' VAL . 15.8 t-20 -41.62 135.81 2.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 4.8 mt-10 -70.26 -27.65 64.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -51.52 11.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.785 HD12 ' HB3' ' A' ' 55' ' ' ASN . 17.3 mt -61.47 -38.79 80.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.647 ' O ' HG23 ' A' ' 37' ' ' VAL . 56.8 t -71.72 -43.73 69.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -60.71 -32.51 71.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -74.36 -44.54 51.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.545 HD11 ' CB ' ' A' ' 61' ' ' ALA . 14.5 mt -69.39 -49.98 50.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 33' ' ' VAL . 81.8 t -54.77 -19.93 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.25 -39.97 11.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.469 ' CE ' HD23 ' A' ' 36' ' ' LEU . 12.2 mtm -54.44 -27.04 34.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.38 37.61 0.84 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.434 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 42.1 m-85 -113.89 -174.15 2.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.766 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -103.04 118.04 35.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.617 ' HA ' HG22 ' A' ' 37' ' ' VAL . 50.2 tt0 -38.18 -60.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.266 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 tp -39.98 -52.01 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.599 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 3.8 m170 -68.98 -49.32 58.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.613 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.434 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 73.7 m -47.19 -30.99 3.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 108.288 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.757 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 32.2 mt-30 -75.34 -59.7 2.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.455 ' CG ' HG12 ' A' ' 78' ' ' ILE . 25.7 mttt -49.56 -55.2 14.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.853 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -43.95 -70.23 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -44.54 -60.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.431 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 56.3 mt -46.24 -55.3 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.46 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 5.1 m-80 -48.37 -33.23 8.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 49' ' ' ALA . 17.8 p -108.02 27.55 9.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.387 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.87 28.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.785 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 53.04 35.67 20.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.601 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . . . -52.96 -43.23 66.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.71 155.58 25.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.143 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.737 ' HA ' HG23 ' A' ' 32' ' ' ILE . 40.2 t -53.09 -40.68 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 3.9 pt-20 -63.0 -43.24 99.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.601 ' OE1' ' HB3' ' A' ' 56' ' ' ALA . 0.3 OUTLIER -61.78 -51.47 68.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.794 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.41 -58.26 7.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.872 ' HE2' HD11 ' A' ' 66' ' ' LEU . 2.9 ttp -54.0 -53.24 55.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -43.61 -45.4 6.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.652 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 67.4 t90 -61.69 -44.39 97.04 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.853 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -58.56 -43.62 89.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.872 HD11 ' HE2' ' A' ' 62' ' ' MET . 26.1 mt -65.27 -11.52 42.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.01 -11.89 13.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 110.003 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.77 ' O ' HD13 ' A' ' 74' ' ' ILE . 15.1 m-70 -130.05 29.37 4.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.596 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -79.69 -45.3 19.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -103.43 63.45 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.791 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.5 OUTLIER -132.85 156.11 80.44 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -30.71 6.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.5 OUTLIER -66.14 -39.18 89.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.791 HG22 ' O ' ' A' ' 71' ' ' ASP . 4.1 tp -47.58 -25.65 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.4 -34.21 14.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -55.73 145.68 50.2 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 152.18 40.3 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.48 1.779 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.455 HG12 ' CG ' ' A' ' 48' ' ' LYS . 92.9 mt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.846 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.471 ' O ' HG23 ' A' ' 33' ' ' VAL . 16.5 t-20 -39.6 128.14 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -25.13 63.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' CB ' ' OD1' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -76.45 -42.83 42.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.817 HG23 ' HA ' ' A' ' 58' ' ' VAL . 13.6 mt -71.83 -34.55 51.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 37' ' ' VAL . 44.0 t -74.57 -51.92 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.1 -35.12 46.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.539 ' OE1' HG21 ' A' ' 58' ' ' VAL . 42.5 mt-30 -71.23 -48.98 48.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.324 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.66 HD11 ' CB ' ' A' ' 61' ' ' ALA . 10.0 mt -63.83 -57.32 10.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.635 HG22 ' HA ' ' A' ' 43' ' ' GLN . 90.8 t -46.07 -26.13 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -82.99 -42.08 17.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.03 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.458 ' CE ' ' CG1' ' A' ' 58' ' ' VAL . 11.7 mtm -54.89 -29.42 55.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.74 41.23 0.5 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.433 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 52.6 m-85 -118.46 175.26 5.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 0.764 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.476 ' HB2' ' CG ' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -91.99 118.03 30.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.635 ' HA ' HG22 ' A' ' 37' ' ' VAL . 58.9 tt0 -38.42 -62.49 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 tp -40.75 -51.07 3.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 7.2 m170 -65.15 -52.35 55.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.556 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.624 ' HA ' HD11 ' A' ' 65' ' ' LEU . 73.4 m -45.87 -40.85 10.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 108.342 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.846 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 94.5 mt-30 -63.45 -59.23 4.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.408 ' CG ' HG12 ' A' ' 78' ' ' ILE . 28.3 mttt -50.82 -58.52 5.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.826 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -40.17 -71.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -43.1 -59.02 2.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.8 mt -47.66 -58.41 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.56 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 11.2 m-80 -49.53 -23.7 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 49' ' ' ALA . 31.9 p -117.56 30.0 7.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER 37.53 36.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.017 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.737 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.1 OUTLIER 42.21 44.04 3.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.37 -35.13 76.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.36 153.02 12.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.817 ' HA ' HG23 ' A' ' 32' ' ' ILE . 75.8 t -50.81 -42.19 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.5 pt-20 -60.13 -45.17 93.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.478 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.1 mt-10 -60.9 -48.94 79.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.826 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.39 -56.02 20.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.3 ttm -57.51 -51.19 70.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -46.38 -38.85 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.651 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 53.7 t90 -70.01 -38.82 76.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 107.994 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.822 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 1.2 mt -65.21 -40.93 94.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.5 mt -68.81 -9.2 49.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 t -113.43 -18.4 12.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.056 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.865 ' O ' HD13 ' A' ' 74' ' ' ILE . 26.8 m-70 -119.61 19.1 12.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.599 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -70.93 -45.32 64.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -104.29 60.36 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.785 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -132.3 155.42 81.3 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -31.34 6.28 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.5 m-20 -64.12 -38.99 93.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.865 HD13 ' O ' ' A' ' 68' ' ' HIS . 4.4 tp -45.3 -29.17 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.12 -36.25 14.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -48.94 147.09 4.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.4 Cg_endo -75.0 154.96 42.87 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.449 1.763 . . . . 0.0 111.036 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.408 HG12 ' CG ' ' A' ' 48' ' ' LYS . 73.5 mt . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.814 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.67 ' O ' HG23 ' A' ' 33' ' ' VAL . 14.6 t-20 -42.45 132.54 3.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -69.05 -27.93 66.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.263 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -51.95 12.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.72 HD12 ' CB ' ' A' ' 55' ' ' ASN . 24.5 mt -60.14 -40.66 84.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 29' ' ' ASN . 88.9 t -70.41 -45.26 75.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -58.05 -32.88 68.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -74.02 -47.23 38.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.705 HD11 ' CB ' ' A' ' 61' ' ' ALA . 14.2 mt -65.22 -55.55 17.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.621 HG22 ' HA ' ' A' ' 43' ' ' GLN . 78.6 t -48.49 -24.41 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -84.74 -41.9 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.031 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.445 ' HE1' HD23 ' A' ' 36' ' ' LEU . 11.1 mtm -55.02 -29.51 57.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.76 40.86 0.55 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.434 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 52.5 m-85 -118.01 174.35 6.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.419 ' HB2' ' ND1' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -89.84 117.28 28.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.621 ' HA ' HG22 ' A' ' 37' ' ' VAL . 54.7 tt0 -38.59 -61.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 tp -40.42 -54.79 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 4.1 m170 -63.07 -52.05 64.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.62 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.49 ' HA ' HD11 ' A' ' 65' ' ' LEU . 71.4 m -44.46 -41.05 6.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 108.268 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.814 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 87.3 mt-30 -63.52 -59.88 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HE2' ' CG1' ' A' ' 78' ' ' ILE . 17.4 mttm -49.86 -59.05 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.827 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -38.88 -71.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -42.97 -60.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.436 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 58.0 mt -47.09 -56.96 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.568 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 8.1 m-80 -49.38 -25.69 2.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.1 p -115.55 28.88 8.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.378 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.426 ' C ' ' CG ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER 40.77 33.48 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.007 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.72 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 47.15 37.23 5.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.69 -41.56 67.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.43 160.44 33.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.717 ' HA ' HG23 ' A' ' 32' ' ' ILE . 29.0 t -57.47 -44.49 84.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.451 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.2 pt-20 -59.91 -42.96 95.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.451 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.8 mt-10 -61.25 -48.52 81.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.827 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.06 -55.57 22.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.4 ttm -57.96 -51.69 68.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -44.93 -40.12 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.657 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 65.4 t90 -67.77 -41.97 82.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 108.003 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.753 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 1.1 mt -61.52 -43.77 98.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.9 mt -65.36 -11.31 40.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -112.98 -12.81 13.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.029 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.778 ' O ' HD13 ' A' ' 74' ' ' ILE . 12.5 m-70 -130.03 30.54 4.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.57 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -82.23 -42.35 19.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.956 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -104.85 59.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.702 ' O ' HG22 ' A' ' 74' ' ' ILE . 3.0 m-20 -129.47 155.33 80.33 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -31.42 6.29 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.486 1.782 . . . . 0.0 111.004 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.1 m-20 -64.24 -39.41 93.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.778 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.7 tp -45.94 -27.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 73' ' ' ASP . 27.2 m-20 -90.18 -37.11 14.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -50.31 146.97 8.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.2 Cg_endo -75.03 150.38 37.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.416 ' CG1' ' HE2' ' A' ' 48' ' ' LYS . 27.8 mt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.79 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -42.05 126.47 3.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.53 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 7.2 mt-10 -66.49 -24.23 66.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.339 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.77 -47.63 18.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.253 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.809 HG23 ' HA ' ' A' ' 58' ' ' VAL . 17.0 mt -66.41 -39.51 84.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.6 t -71.28 -50.13 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -51.91 -31.34 28.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.426 ' NE2' HG21 ' A' ' 58' ' ' VAL . 34.9 mt-30 -75.97 -46.81 27.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.574 HD23 ' HE1' ' A' ' 39' ' ' MET . 8.3 mt -65.69 -55.54 16.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' A' ' 43' ' ' GLN . 74.1 t -48.6 -24.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -85.17 -40.85 16.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.574 ' HE1' HD23 ' A' ' 36' ' ' LEU . 11.3 mtm -55.78 -28.58 56.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.996 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.3 41.46 0.58 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.092 . . . . 0.0 111.034 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.431 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 50.0 m-85 -117.92 172.87 7.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.478 ' HB2' ' CG ' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -89.9 115.31 27.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.984 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.493 ' HA ' HG22 ' A' ' 37' ' ' VAL . 49.7 tt0 -39.04 -63.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' GLN . 6.3 tp -39.24 -42.07 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.586 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 8.2 m170 -75.97 -49.44 17.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.616 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.655 ' HA ' HD11 ' A' ' 65' ' ' LEU . 97.2 m -48.81 -40.7 30.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 108.309 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.79 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 35.5 mt-30 -62.81 -57.5 10.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -52.89 -58.14 7.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.85 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -40.19 -72.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -43.29 -61.99 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.446 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 59.2 mt -45.08 -57.29 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.523 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 3.2 m-80 -49.01 -31.53 7.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' ALA . 3.1 p -107.9 26.62 10.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.84 27.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.753 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 53.21 34.24 17.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.72 -45.02 48.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.09 152.24 18.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.428 1.08 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.809 ' HA ' HG23 ' A' ' 32' ' ' ILE . 57.5 t -48.12 -45.66 12.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.477 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.8 pt-20 -57.94 -45.0 87.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.477 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -61.71 -48.47 80.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.85 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.04 -54.83 29.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.138 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.5 ttm -58.83 -50.82 72.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -45.97 -39.07 8.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.655 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 52.7 t90 -68.44 -41.07 80.83 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.846 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 1.2 mt -62.64 -43.67 98.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.3 mt -67.58 -9.82 46.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.86 -5.66 12.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.824 ' O ' HD13 ' A' ' 74' ' ' ILE . 22.6 m-70 -132.47 20.09 4.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.624 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -75.05 -40.74 60.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.973 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -104.55 60.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.833 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -132.81 154.71 81.54 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.3 4.71 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.802 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 76' ' ' ALA . 2.7 m-20 -63.97 -38.32 90.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.833 HG22 ' O ' ' A' ' 71' ' ' ASP . 4.5 tp -46.12 -27.73 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.28 -36.77 15.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -49.91 145.05 9.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.2 Cg_endo -75.0 153.7 41.94 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.452 1.764 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 26.1 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.825 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 28' ' ' ALA . 13.9 t-20 -39.07 130.13 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -69.94 -25.42 63.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.81 -47.24 26.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.802 HG23 ' HA ' ' A' ' 58' ' ' VAL . 17.3 mt -66.73 -38.37 81.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.558 ' O ' HG23 ' A' ' 37' ' ' VAL . 25.0 t -71.45 -46.33 64.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -58.55 -27.58 64.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.443 ' CD ' HG21 ' A' ' 58' ' ' VAL . 32.8 mt-30 -79.49 -43.84 22.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.619 HD11 ' CB ' ' A' ' 61' ' ' ALA . 16.3 mt -69.49 -48.25 61.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.623 HG22 ' HA ' ' A' ' 43' ' ' GLN . 81.4 t -55.01 -20.93 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.46 -39.85 11.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.979 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.446 ' CE ' ' CG1' ' A' ' 58' ' ' VAL . 11.7 mtm -56.45 -26.86 55.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.44 37.64 0.78 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 53.6 m-85 -115.97 174.79 5.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.416 ' HB2' ' ND1' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -92.31 117.99 30.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.993 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.623 ' HA ' HG22 ' A' ' 37' ' ' VAL . 55.5 tt0 -38.06 -60.66 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tp -41.31 -52.74 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 7.5 m170 -65.78 -51.06 62.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.622 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.441 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 79.2 m -44.36 -37.44 3.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.825 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 83.9 mt-30 -68.59 -59.82 2.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.46 ' HE2' ' CG1' ' A' ' 78' ' ' ILE . 19.7 mttt -49.33 -55.36 13.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.815 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -43.1 -69.09 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -45.27 -60.4 2.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 58.4 mt -46.52 -57.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.557 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 7.0 m-80 -48.1 -25.04 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 49' ' ' ALA . 12.3 p -119.33 32.44 6.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER 36.99 34.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.984 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.742 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.2 OUTLIER 41.77 44.74 2.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.468 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . . . -64.27 -28.98 70.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.17 148.59 7.81 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.802 ' HA ' HG23 ' A' ' 32' ' ' ILE . 92.8 t -48.11 -43.81 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.425 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 3.2 pt-20 -58.24 -41.74 84.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.468 ' OE1' ' HB3' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -63.36 -50.18 70.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.815 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.27 -55.36 25.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.459 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.4 ttm -57.8 -51.84 67.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -45.22 -40.68 7.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.088 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.65 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 74.8 t90 -67.3 -41.4 85.45 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.682 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -63.54 -41.81 98.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.5 mt -64.96 -11.61 40.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.0 m -116.63 -9.66 11.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.809 ' O ' HD13 ' A' ' 74' ' ' ILE . 11.0 m-70 -130.26 27.7 5.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.581 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -76.5 -42.31 43.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -112.06 59.69 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.637 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -122.12 156.17 60.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.405 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 18.3 Cg_endo -75.01 -14.69 21.05 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.461 1.769 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 76' ' ' ALA . 4.1 m-20 -83.86 -39.08 20.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.809 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.9 tp -46.17 -30.02 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 72' ' ' PRO . 2.3 p30 -89.17 -34.38 16.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -53.5 146.95 22.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.2 Cg_endo -74.99 153.74 42.02 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.464 1.771 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.46 ' CG1' ' HE2' ' A' ' 48' ' ' LYS . 38.8 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.842 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.472 ' O ' HG23 ' A' ' 33' ' ' VAL . 18.2 t-20 -40.59 139.83 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 4.3 mp0 -76.05 -24.8 55.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.32 -49.16 14.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.802 HD12 ' HB3' ' A' ' 55' ' ' ASN . 12.3 mt -63.86 -36.78 77.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.518 ' O ' HG23 ' A' ' 37' ' ' VAL . 46.6 t -74.31 -53.25 17.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -51.52 -29.18 15.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -77.35 -45.79 24.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.487 HD11 ' HB3' ' A' ' 61' ' ' ALA . 12.2 mt -68.19 -45.38 73.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.641 HG22 ' HA ' ' A' ' 43' ' ' GLN . 96.1 t -58.48 -17.52 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.67 -41.42 11.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.48 ' HE1' HD23 ' A' ' 36' ' ' LEU . 21.3 mtm -57.25 -14.76 4.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.0 31.55 4.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.436 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 5.4 m-85 -102.91 -175.17 2.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.444 ' HB2' ' CG ' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -102.93 117.09 33.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.641 ' HA ' HG22 ' A' ' 37' ' ' VAL . 46.6 tt0 -38.04 -61.07 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.0 tp -40.62 -55.63 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.558 ' CD2' HG13 ' A' ' 74' ' ' ILE . 3.3 m170 -63.59 -51.35 65.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.587 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 73.4 m -45.6 -37.51 5.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 108.338 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.842 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 34.1 mt-30 -68.65 -60.21 2.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' ALA . 28.0 mttt -48.89 -59.57 3.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.827 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -38.89 -72.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -42.01 -59.58 1.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.438 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 56.7 mt -47.63 -55.42 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.494 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 3.9 m-80 -49.7 -27.9 5.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.2 p -112.81 25.52 11.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 110.412 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 44.61 27.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.802 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 54.89 36.37 26.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.527 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . . . -54.56 -39.31 67.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.59 148.11 8.55 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.8 ' HA ' HG23 ' A' ' 32' ' ' ILE . 99.8 t -44.77 -50.95 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.763 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.443 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 3.4 pt-20 -53.38 -42.79 67.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.527 ' OE1' ' HB3' ' A' ' 56' ' ' ALA . 0.2 OUTLIER -63.63 -51.22 66.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.774 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.26 -56.91 11.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.816 ' HE2' HD11 ' A' ' 66' ' ' LEU . 2.9 ttp -54.86 -53.0 61.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -43.2 -46.27 5.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.649 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 69.6 t90 -60.81 -44.81 96.4 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.827 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -58.55 -43.55 89.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.816 HD11 ' HE2' ' A' ' 62' ' ' MET . 36.1 mt -62.54 -13.27 28.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.81 -13.96 13.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.019 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.783 ' O ' HD13 ' A' ' 74' ' ' ILE . 14.3 m-70 -127.5 32.36 5.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.594 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -84.07 -42.58 15.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.973 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -104.4 46.89 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.709 ' O ' HG22 ' A' ' 74' ' ' ILE . 2.7 m-20 -114.62 155.34 46.21 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -32.51 5.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 110.995 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 76' ' ' ALA . 2.6 m-20 -63.51 -38.01 89.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.783 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.8 tp -45.68 -28.57 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -88.78 -37.15 15.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.143 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -50.94 146.75 9.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.3 Cg_endo -75.03 151.54 39.51 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 70.1 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.681 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.647 ' O ' HG23 ' A' ' 33' ' ' VAL . 18.5 t-20 -44.15 135.32 4.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -70.36 -21.6 62.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 110.338 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.69 -53.53 6.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.874 HD12 ' HB3' ' A' ' 55' ' ' ASN . 6.9 mt -60.88 -38.13 78.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 29' ' ' ASN . 83.9 t -71.76 -46.93 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -58.59 -31.58 68.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -74.54 -40.53 61.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.649 HD11 ' CB ' ' A' ' 61' ' ' ALA . 16.4 mt -73.39 -52.93 12.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.64 HG22 ' HA ' ' A' ' 43' ' ' GLN . 93.3 t -52.0 -21.95 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.11 -41.59 13.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.989 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.407 ' CE ' HD23 ' A' ' 36' ' ' LEU . 12.7 mtm -55.08 -27.1 42.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.81 37.09 0.85 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.433 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 52.1 m-85 -112.87 177.01 4.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.763 . . . . 0.0 111.03 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.423 ' OG ' ' ND1' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -93.91 116.71 29.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.64 ' HA ' HG22 ' A' ' 37' ' ' VAL . 57.9 tt0 -37.31 -61.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 tp -40.42 -54.75 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 3.7 m170 -63.88 -51.54 64.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.581 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.433 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 71.5 m -44.03 -38.36 3.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 108.292 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.681 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 84.0 mt-30 -68.52 -60.5 2.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -48.4 -52.54 21.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.862 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -49.87 -68.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.774 ' HB1' ' OD1' ' A' ' 55' ' ' ASN . . . -44.82 -60.13 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 54' ' ' SER . 62.6 mt -49.34 -54.94 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.53 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 3.1 m-80 -47.22 -29.26 2.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 55' ' ' ASN . 38.6 p -113.55 34.3 4.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.377 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 51' ' ' ILE . 0.3 OUTLIER 38.02 30.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.874 ' HB3' HD12 ' A' ' 32' ' ' ILE . 7.9 m-80 45.24 45.99 9.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.624 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . . . -65.31 -33.97 77.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.51 154.39 16.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.762 ' HA ' HG23 ' A' ' 32' ' ' ILE . 76.1 t -50.95 -46.6 30.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.1 pt-20 -56.6 -44.18 80.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.354 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.624 ' OE1' ' HB3' ' A' ' 56' ' ' ALA . 0.3 OUTLIER -61.04 -50.24 74.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.791 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.22 -57.18 11.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.7 ttm -55.98 -52.27 64.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.1 -43.54 4.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.652 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 72.4 t90 -65.2 -43.93 89.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 108.04 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.862 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -60.27 -42.13 94.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.1 mt -64.93 -11.55 39.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -114.08 -14.4 12.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.793 ' O ' HD13 ' A' ' 74' ' ' ILE . 13.5 m-70 -127.76 31.13 5.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.543 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -82.59 -43.01 17.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -104.81 56.68 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.73 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.2 m-20 -126.16 155.65 73.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -31.63 6.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.6 OUTLIER -64.03 -39.17 93.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.793 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.8 tp -46.54 -25.83 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 73' ' ' ASP . 60.8 m-20 -90.56 -36.69 14.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -52.63 145.28 21.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 154.99 42.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.8 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.806 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.508 ' O ' HG23 ' A' ' 33' ' ' VAL . 16.5 t-20 -42.25 130.27 3.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 5.4 mt-10 -69.26 -26.72 64.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -49.55 17.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.112 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.778 HG23 ' HA ' ' A' ' 58' ' ' VAL . 15.4 mt -64.33 -38.47 82.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.586 ' O ' HG23 ' A' ' 37' ' ' VAL . 56.1 t -71.6 -47.54 57.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -57.21 -33.04 67.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -73.51 -48.06 36.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.522 ' HA ' ' HE3' ' A' ' 39' ' ' MET . 6.7 mt -65.51 -55.79 15.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.65 HG22 ' HA ' ' A' ' 43' ' ' GLN . 89.0 t -46.65 -25.64 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -77.25 -41.02 42.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.032 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.522 ' HE3' ' HA ' ' A' ' 36' ' ' LEU . 16.7 mtt -56.82 -29.93 63.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.09 -11.67 5.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.423 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 45.6 m-85 -59.37 174.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -96.83 117.32 30.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.034 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.65 ' HA ' HG22 ' A' ' 37' ' ' VAL . 54.2 tt0 -35.09 -60.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.2 tp -40.51 -49.6 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.545 ' CD2' HG13 ' A' ' 74' ' ' ILE . 3.7 m170 -68.5 -51.39 43.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.626 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.423 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 76.4 m -45.87 -41.55 11.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 108.304 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.806 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 33.5 mt-30 -64.6 -59.37 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.45 ' CG ' HG12 ' A' ' 78' ' ' ILE . 28.6 mttt -50.98 -56.59 11.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.805 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -42.82 -70.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -43.48 -60.0 1.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.43 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 56.4 mt -47.38 -57.08 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.566 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 5.8 m-80 -48.23 -24.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' SER . 35.3 p -119.47 31.83 6.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER 37.38 36.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.029 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.756 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 42.4 43.51 3.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.69 -38.26 81.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.99 147.1 9.12 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.778 ' HA ' HG23 ' A' ' 32' ' ' ILE . 80.1 t -46.69 -36.91 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.487 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.9 pt-20 -64.32 -45.41 88.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.487 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 4.8 mt-10 -62.43 -48.08 81.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.805 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.47 -54.94 29.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.2 ttm -58.23 -51.23 70.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -45.34 -40.07 7.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.65 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 66.1 t90 -67.66 -41.47 83.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 107.994 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.774 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.9 OUTLIER -61.79 -45.4 94.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.9 mt -64.65 -12.09 42.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.91 -6.35 13.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.03 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.794 ' O ' HD13 ' A' ' 74' ' ' ILE . 15.6 m-70 -133.54 26.11 4.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.61 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -79.12 -42.12 27.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -105.53 59.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.74 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.6 OUTLIER -130.78 155.42 81.39 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -31.27 6.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.544 1.813 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.0 OUTLIER -64.31 -38.23 90.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.794 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.9 tp -47.37 -28.99 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.76 -33.17 17.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -56.09 144.03 60.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 158.67 42.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.45 HG12 ' CG ' ' A' ' 48' ' ' LYS . 68.8 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.803 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -40.62 128.09 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.566 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 19.6 mt-10 -67.21 -24.46 65.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.89 -49.91 13.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.812 HG23 ' HA ' ' A' ' 58' ' ' VAL . 15.9 mt -63.52 -40.89 90.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.1 t -70.25 -50.52 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -50.11 -30.88 12.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.529 ' OE1' HG21 ' A' ' 58' ' ' VAL . 44.4 mt-30 -76.72 -46.95 23.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.539 HD23 ' CE ' ' A' ' 39' ' ' MET . 10.9 mt -65.2 -51.57 60.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 43' ' ' GLN . 72.1 t -53.96 -20.36 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.84 -40.44 12.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.02 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.539 ' CE ' HD23 ' A' ' 36' ' ' LEU . 11.1 mtm -56.11 -28.27 57.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.08 41.76 0.58 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.433 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 49.1 m-85 -118.41 176.69 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.42 ' HB2' ' ND1' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -93.49 116.92 29.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.002 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.481 ' HA ' HG22 ' A' ' 37' ' ' VAL . 54.3 tt0 -40.48 -61.35 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 43' ' ' GLN . 6.1 tp -40.0 -44.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 6.6 m170 -75.08 -49.08 20.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.583 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.712 ' HA ' HD11 ' A' ' 65' ' ' LEU . 81.8 m -48.36 -39.81 23.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 108.275 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.803 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 36.2 mt-30 -63.56 -57.75 9.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' ALA . 22.7 mttt -51.47 -59.81 3.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.871 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -37.89 -73.73 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -42.17 -62.19 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.442 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 57.7 mt -45.03 -57.44 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.404 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 3.6 m-80 -48.47 -32.03 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.7 p -108.03 27.43 9.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.376 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.2 27.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.791 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 52.46 35.97 19.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.85 -41.78 62.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.26 151.58 13.11 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.812 ' HA ' HG23 ' A' ' 32' ' ' ILE . 57.8 t -45.95 -50.93 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.475 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.4 pt-20 -53.42 -44.87 69.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.475 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.4 mt-10 -61.73 -51.38 68.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.829 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.83 -56.97 11.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.884 ' HE2' HD11 ' A' ' 66' ' ' LEU . 3.0 ttp -55.4 -52.68 62.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.56 -45.68 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.657 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 66.4 t90 -60.99 -45.23 95.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 107.98 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.871 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 1.6 mt -57.77 -42.65 84.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.884 HD11 ' HE2' ' A' ' 62' ' ' MET . 23.9 mt -67.89 -9.52 45.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.63 -7.73 12.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.776 ' O ' HD13 ' A' ' 74' ' ' ILE . 32.0 m-70 -130.66 20.55 5.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -74.89 -42.1 58.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.13 57.0 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.862 ' O ' HG22 ' A' ' 74' ' ' ILE . 2.7 m-20 -127.51 155.22 77.15 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -31.91 5.8 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.502 1.79 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.9 OUTLIER -65.81 -37.95 87.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.862 HG22 ' O ' ' A' ' 71' ' ' ASP . 5.3 tp -45.85 -27.41 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 73' ' ' ASP . 63.5 m-20 -89.22 -37.36 15.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -49.93 145.45 9.13 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.1 Cg_endo -75.04 150.94 38.7 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 43.2 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.828 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.58 ' O ' HG23 ' A' ' 33' ' ' VAL . 13.4 t-20 -39.61 146.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -81.25 -24.77 37.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.243 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -79.2 -50.87 10.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.803 HD12 ' HB3' ' A' ' 55' ' ' ASN . 16.0 mt -62.24 -33.44 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.589 ' O ' HG23 ' A' ' 37' ' ' VAL . 55.4 t -77.57 -38.81 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -64.6 -32.87 74.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -74.34 -43.39 56.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.665 HD23 ' CE ' ' A' ' 39' ' ' MET . 17.1 mt -69.75 -57.44 5.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.655 HG22 ' HA ' ' A' ' 43' ' ' GLN . 77.8 t -45.64 -26.58 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -80.82 -42.1 22.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.962 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.665 ' CE ' HD23 ' A' ' 36' ' ' LEU . 12.3 mtt -53.06 -29.27 29.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.108 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.44 -5.53 7.15 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.491 1.12 . . . . 0.0 110.966 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 62' ' ' MET . 44.5 m-85 -68.69 175.9 3.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.427 ' OG ' ' ND1' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -96.27 121.85 38.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.017 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.655 ' HA ' HG22 ' A' ' 37' ' ' VAL . 61.7 tt0 -38.56 -60.69 0.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tp -40.33 -51.87 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.558 ' CD2' HG13 ' A' ' 74' ' ' ILE . 3.5 m170 -68.2 -49.86 58.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.576 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.437 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 79.2 m -46.44 -33.82 4.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.327 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.828 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 91.6 mt-30 -71.63 -59.95 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ALA . 26.7 mttt -49.78 -57.77 6.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.775 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -38.6 -71.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -44.2 -60.04 2.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.436 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 54.9 mt -46.73 -56.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.505 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 6.8 m-80 -49.1 -24.64 1.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.0 p -117.88 28.14 8.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 42.99 27.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.032 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.803 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 53.66 36.89 24.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.24 -41.89 65.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -171.54 157.13 27.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.138 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.78 ' HA ' HG23 ' A' ' 32' ' ' ILE . 37.7 t -53.32 -44.86 55.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.1 pt-20 -59.51 -43.1 93.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.3 mt-10 -61.76 -51.17 69.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.774 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.27 -57.19 10.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.844 ' HE2' HD11 ' A' ' 66' ' ' LEU . 3.2 ttp -55.25 -53.09 60.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -42.62 -46.27 4.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.64 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 70.0 t90 -61.1 -45.68 93.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.775 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -57.61 -41.27 80.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.844 HD11 ' HE2' ' A' ' 62' ' ' MET . 39.5 mt -64.84 -11.69 40.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.6 m -113.25 -16.97 12.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.014 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.714 ' O ' HD13 ' A' ' 74' ' ' ILE . 15.5 m-70 -124.46 29.77 6.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.602 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -75.4 -47.89 25.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -107.93 41.22 1.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.662 ' O ' HG22 ' A' ' 74' ' ' ILE . 3.2 m-20 -98.25 156.93 35.26 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -18.36 18.93 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 111.049 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 76' ' ' ALA . 2.2 m-20 -82.43 -36.24 26.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.714 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.5 tp -47.93 -36.46 5.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -81.48 -28.98 33.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -65.28 145.56 99.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.237 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 168.12 25.52 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.408 HD11 ' HB2' ' A' ' 47' ' ' GLN . 63.7 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.81 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 55' ' ' ASN . 17.2 t-20 -38.73 127.23 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.511 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 2.4 mt-10 -67.41 -26.12 66.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.25 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -47.16 27.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.854 HG23 ' HA ' ' A' ' 58' ' ' VAL . 19.7 mt -66.71 -39.41 83.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.408 HG13 ' HB2' ' A' ' 46' ' ' CYS . 53.2 t -71.36 -48.5 53.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -52.72 -31.62 38.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.639 ' OE1' HG21 ' A' ' 58' ' ' VAL . 52.1 mt-30 -75.7 -47.46 26.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.619 HD23 ' CE ' ' A' ' 39' ' ' MET . 19.0 mt -64.24 -53.43 49.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.632 HG22 ' HA ' ' A' ' 43' ' ' GLN . 77.2 t -51.1 -22.56 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.1 -38.58 12.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.003 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.619 ' CE ' HD23 ' A' ' 36' ' ' LEU . 11.4 mtm -56.9 -25.51 57.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.21 34.72 1.09 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.436 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 49.6 m-85 -112.97 178.83 4.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.431 ' OG ' ' ND1' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -96.24 118.98 33.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.027 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.632 ' HA ' HG22 ' A' ' 37' ' ' VAL . 55.1 tt0 -37.94 -59.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 tp -42.54 -54.64 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 3.4 m170 -64.14 -51.3 64.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.614 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 76.8 m -43.78 -40.04 4.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 108.299 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.81 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 36.4 mt-30 -67.32 -60.18 2.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -48.44 -56.1 9.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.364 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.803 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -43.21 -69.55 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -44.81 -60.2 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.1 mt -46.61 -56.56 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.499 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 5.6 m-80 -48.53 -26.31 2.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 50' ' ' ALA . 50.8 p -117.42 30.23 7.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.422 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER 38.08 36.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.977 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.758 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.2 OUTLIER 41.36 45.1 2.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 109.262 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.94 -32.46 74.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.62 148.56 9.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.459 1.1 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.854 ' HA ' HG23 ' A' ' 32' ' ' ILE . 55.3 t -47.42 -48.71 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.2 pt-20 -55.31 -44.74 76.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 6.6 mm-40 -57.84 -53.69 55.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.753 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -51.73 -59.1 4.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.859 ' HE2' HD11 ' A' ' 66' ' ' LEU . 2.2 ttp -52.95 -53.35 51.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -43.22 -47.07 6.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.652 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 73.8 t90 -60.29 -44.19 95.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 108.017 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.803 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -59.96 -42.51 94.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.859 HD11 ' HE2' ' A' ' 62' ' ' MET . 37.6 mt -64.05 -12.55 39.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.14 -6.94 11.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.773 ' O ' HD13 ' A' ' 74' ' ' ILE . 19.4 m-70 -131.59 26.72 4.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.618 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -80.53 -41.79 23.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -106.7 55.97 0.66 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.781 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -125.13 155.99 70.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -30.84 6.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.788 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.3 m-20 -65.94 -39.12 90.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.781 HG22 ' O ' ' A' ' 71' ' ' ASP . 4.3 tp -46.23 -26.12 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 73' ' ' ASP . 57.5 m-20 -91.14 -36.93 13.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -51.58 148.95 8.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.4 Cg_endo -74.98 158.67 42.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 0.0 110.998 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.6 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.773 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.41 ' O ' HG23 ' A' ' 33' ' ' VAL . 17.3 t-20 -41.06 132.25 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.492 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 1.2 mt-10 -68.72 -26.26 65.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -53.72 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.9 HG23 ' HA ' ' A' ' 58' ' ' VAL . 15.7 mt -59.5 -37.41 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 37' ' ' VAL . 44.3 t -73.89 -48.33 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -56.54 -34.28 66.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -71.72 -44.84 63.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.675 HD11 ' HB3' ' A' ' 61' ' ' ALA . 8.3 mt -69.19 -54.39 15.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.567 HG22 ' HA ' ' A' ' 43' ' ' GLN . 78.5 t -48.65 -23.97 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -84.91 -41.37 16.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.974 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.44 ' CE ' HD23 ' A' ' 36' ' ' LEU . 11.5 mtm -53.89 -29.41 41.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.55 40.71 0.6 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.545 1.153 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.433 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 39.2 m-85 -114.16 -171.83 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.754 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -105.25 113.21 26.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.014 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.567 ' HA ' HG22 ' A' ' 37' ' ' VAL . 48.4 tt0 -35.56 -62.34 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' GLN . 5.2 tp -39.29 -47.8 1.75 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.565 ' CD2' HG13 ' A' ' 74' ' ' ILE . 6.8 m170 -72.12 -49.04 39.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.577 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.433 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 92.0 m -49.22 -28.84 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.258 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.773 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 34.1 mt-30 -76.04 -58.96 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.352 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -50.58 -54.16 24.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.853 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -43.04 -69.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -46.32 -62.81 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.432 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 51.5 mt -44.12 -50.53 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.514 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 4.2 m-80 -55.31 -37.45 67.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 50' ' ' ALA . 35.5 p -104.94 28.37 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.378 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.428 ' C ' ' CG ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER 40.13 35.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.015 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.781 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 46.22 41.96 9.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.493 ' HB3' ' CD ' ' A' ' 60' ' ' GLU . . . -58.46 -23.03 56.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 166.79 156.47 9.68 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.9 ' HA ' HG23 ' A' ' 32' ' ' ILE . 46.4 t -50.05 -42.55 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 0.793 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.1 pt-20 -63.56 -41.72 98.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.493 ' CD ' ' HB3' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -60.51 -53.54 56.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.853 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -51.51 -58.73 5.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.768 ' HE2' HD11 ' A' ' 66' ' ' LEU . 2.0 ttp -53.96 -52.79 59.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -42.81 -46.68 5.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.652 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 74.4 t90 -61.1 -45.51 94.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 107.972 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.762 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -57.29 -44.3 83.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.768 HD11 ' HE2' ' A' ' 62' ' ' MET . 32.3 mt -62.98 -12.94 29.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m -113.52 -10.31 13.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.801 ' O ' HD13 ' A' ' 74' ' ' ILE . 14.2 m-70 -132.86 33.6 3.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.619 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -85.01 -41.65 15.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 110.97 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -104.7 46.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.812 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -113.33 154.91 45.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -32.73 5.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.492 1.785 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 76' ' ' ALA . 4.2 m-20 -64.51 -37.53 87.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.812 HG22 ' O ' ' A' ' 71' ' ' ASP . 4.7 tp -45.81 -30.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -85.49 -37.31 19.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -53.6 144.44 33.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 157.65 42.79 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.549 1.815 . . . . 0.0 111.037 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.414 HD11 ' HB2' ' A' ' 47' ' ' GLN . 94.3 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.767 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.469 ' O ' HG23 ' A' ' 33' ' ' VAL . 19.1 t-20 -40.13 138.88 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 2.9 mt-10 -75.45 -20.75 58.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.348 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -53.15 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.823 HD12 ' HB3' ' A' ' 55' ' ' ASN . 3.9 mt -61.15 -32.99 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 29' ' ' ASN . 40.2 t -76.29 -47.1 31.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -58.26 -32.97 68.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -72.65 -42.33 64.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.596 HD11 ' CB ' ' A' ' 61' ' ' ALA . 18.7 mt -71.18 -56.24 6.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.636 HG22 ' HA ' ' A' ' 43' ' ' GLN . 84.7 t -48.97 -23.72 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -85.39 -39.07 18.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.005 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.492 ' CE ' ' CG1' ' A' ' 58' ' ' VAL . 14.8 mtm -58.45 -23.33 57.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.37 40.33 0.96 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.434 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 51.2 m-85 -117.19 173.55 6.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.419 ' HB2' ' CG ' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -88.8 118.9 28.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 110.003 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.636 ' HA ' HG22 ' A' ' 37' ' ' VAL . 42.1 tt0 -38.64 -61.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tp -40.34 -56.7 1.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 4.6 m170 -60.11 -53.2 60.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.597 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.566 ' HA ' HD11 ' A' ' 65' ' ' LEU . 73.9 m -44.13 -44.28 7.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.145 . . . . 0.0 108.292 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.767 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 35.2 mt-30 -62.05 -59.82 4.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -48.77 -58.84 4.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.856 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -41.9 -70.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.824 ' HB1' ' OD1' ' A' ' 55' ' ' ASN . . . -42.32 -60.17 1.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 54' ' ' SER . 67.2 mt -48.13 -56.2 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.402 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 5.3 m-80 -48.09 -32.63 7.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 49' ' ' ALA . 7.3 p -107.7 31.33 5.54 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.496 1.122 . . . . 0.0 110.394 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 51' ' ' ILE . 0.3 OUTLIER 38.79 30.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.038 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.824 ' OD1' ' HB1' ' A' ' 50' ' ' ALA . 14.8 m-80 47.98 44.4 18.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.37 -14.39 62.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 161.44 159.59 10.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.745 ' HA ' HG23 ' A' ' 32' ' ' ILE . 95.2 t -57.37 -47.71 84.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.774 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.48 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.5 pt-20 -53.63 -45.08 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.48 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -63.15 -51.48 66.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.337 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.794 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.13 -56.88 12.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.791 ' HE2' HD11 ' A' ' 66' ' ' LEU . 2.6 ttp -54.8 -53.25 57.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -42.7 -46.51 5.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.667 ' CZ2' ' CG ' ' A' ' 68' ' ' HIS . 74.5 t90 -60.62 -45.38 94.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 108.013 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.856 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 1.5 mt -57.66 -40.36 79.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.791 HD11 ' HE2' ' A' ' 62' ' ' MET . 27.2 mt -68.29 -8.93 43.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 t -113.56 -19.87 11.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.764 ' O ' HD13 ' A' ' 74' ' ' ILE . 35.5 m-70 -119.27 21.37 12.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.624 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -72.86 -45.67 57.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -105.32 53.58 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.657 ' O ' HG22 ' A' ' 74' ' ' ILE . 2.4 m-20 -122.68 154.5 63.5 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -27.27 10.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' ALA . 2.7 m-20 -68.71 -38.82 80.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.764 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.6 tp -45.48 -28.41 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -87.93 -38.07 15.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -49.14 144.03 8.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.3 Cg_endo -75.05 151.04 38.82 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.525 1.802 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.5 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -180.0 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.823 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 28' ' ' ALA . 13.2 t-20 -39.96 146.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.548 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -81.51 -24.37 36.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -79.26 -52.14 8.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.837 HG23 ' HA ' ' A' ' 58' ' ' VAL . 9.5 mt -61.36 -34.61 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.655 ' O ' HG23 ' A' ' 37' ' ' VAL . 22.7 t -77.15 -39.26 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -63.3 -34.81 78.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.627 ' CD ' HG21 ' A' ' 58' ' ' VAL . 50.9 mt-30 -72.55 -45.98 56.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.473 HD11 ' HB3' ' A' ' 61' ' ' ALA . 9.0 mt -66.37 -55.16 17.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 33' ' ' VAL . 69.4 t -48.78 -24.17 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -83.27 -41.67 18.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.012 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.468 ' CE ' HD23 ' A' ' 36' ' ' LEU . 12.7 mtm -53.66 -28.8 35.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.12 39.92 0.78 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.423 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 31.3 m-85 -111.38 -171.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -105.36 115.32 30.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.972 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 44' ' ' LEU . 60.9 tt0 -37.5 -65.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 43' ' ' GLN . 7.1 tp -37.76 -41.87 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.567 ' CD2' HG13 ' A' ' 74' ' ' ILE . 11.7 m170 -77.79 -48.87 15.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.587 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.423 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 99.2 m -50.14 -29.32 8.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 108.302 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.823 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 91.3 mt-30 -74.31 -58.94 2.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' ALA . 23.7 mttt -50.73 -58.74 5.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 0.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.87 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -39.24 -71.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.97 -60.81 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.459 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 62.2 mt -46.37 -56.41 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.489 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 5.9 m-80 -48.74 -33.17 9.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.68 HG23 ' O ' ' A' ' 49' ' ' ALA . 7.6 p -106.82 28.18 8.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.432 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 42.29 28.57 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.634 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 51.5 35.49 14.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.251 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.589 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . . . -53.93 -38.62 65.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.91 158.12 26.76 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.556 1.16 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.837 ' HA ' HG23 ' A' ' 32' ' ' ILE . 53.6 t -54.92 -43.5 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 0.785 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 3.6 pt-20 -60.68 -43.38 97.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.589 ' OE1' ' HB3' ' A' ' 56' ' ' ALA . 0.3 OUTLIER -61.78 -51.66 67.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.794 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.52 -58.4 6.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.93 ' HE2' HD11 ' A' ' 66' ' ' LEU . 3.0 ttp -53.7 -53.44 52.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -42.81 -45.78 4.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.649 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 65.1 t90 -61.43 -45.6 93.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 107.979 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.87 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.6 OUTLIER -56.86 -43.71 81.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.93 HD11 ' HE2' ' A' ' 62' ' ' MET . 23.5 mt -65.73 -10.99 41.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -112.78 -12.0 13.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.773 ' O ' HD13 ' A' ' 74' ' ' ILE . 13.5 m-70 -131.62 30.68 4.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.635 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -81.43 -43.03 19.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -105.31 58.99 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.354 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.822 ' O ' HG22 ' A' ' 74' ' ' ILE . 2.2 m-20 -127.49 156.09 75.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -30.54 7.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.8 OUTLIER -66.76 -38.48 86.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.822 HG22 ' O ' ' A' ' 71' ' ' ASP . 4.5 tp -47.79 -31.97 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -84.26 -32.04 24.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -60.47 148.88 79.53 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.363 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 157.35 43.16 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.481 1.779 . . . . 0.0 111.047 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 21.9 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.794 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.466 ' OD1' ' CB ' ' A' ' 31' ' ' GLU . 21.9 t-20 -39.5 129.17 1.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -65.32 -28.69 69.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.466 ' CB ' ' OD1' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -74.01 -52.32 13.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.8 HG23 ' HA ' ' A' ' 58' ' ' VAL . 24.5 mt -58.84 -38.29 71.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.439 ' CG2' ' HA ' ' A' ' 47' ' ' GLN . 48.2 t -72.85 -50.92 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.45 -31.61 46.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -74.77 -43.69 53.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.553 HD23 ' HE1' ' A' ' 39' ' ' MET . 14.3 mt -69.23 -58.09 4.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.613 HG22 ' HA ' ' A' ' 43' ' ' GLN . 70.9 t -45.61 -26.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -82.37 -40.61 21.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.974 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.553 ' HE1' HD23 ' A' ' 36' ' ' LEU . 12.8 mtm -55.34 -26.9 43.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.92 38.91 0.93 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.558 1.161 . . . . 0.0 111.034 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.437 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 38.6 m-85 -113.48 -173.92 2.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.415 ' HB2' ' ND1' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -99.57 118.5 36.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 109.974 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.613 ' HA ' HG22 ' A' ' 37' ' ' VAL . 55.7 tt0 -38.54 -63.44 0.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' GLN . 8.1 tp -38.94 -57.66 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.173 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.516 ' CB ' HD21 ' A' ' 65' ' ' LEU . 4.1 m170 -61.65 -51.96 66.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.592 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.437 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 89.2 m -43.43 -45.48 6.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 108.316 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.794 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 78.5 mt-30 -60.09 -59.73 4.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.534 ' O ' ' C ' ' A' ' 49' ' ' ALA . 31.2 mttt -47.75 -62.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.785 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -30.31 -71.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 54' ' ' SER . . . -45.08 -52.32 9.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' LYS . 49.7 mt -55.06 -46.92 77.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.637 ' OD1' ' CZ3' ' A' ' 64' ' ' TRP . 2.3 m120 -64.34 -12.11 38.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 56' ' ' ALA . 12.8 p -127.67 22.5 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.44 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER 42.78 35.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.782 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 53.15 42.36 32.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 53' ' ' THR . . . -82.65 48.93 1.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.13 153.11 28.6 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.8 ' HA ' HG23 ' A' ' 32' ' ' ILE . 89.3 t -61.94 -50.17 81.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.469 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.2 pt-20 -49.37 -44.41 44.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -60.98 -48.0 83.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.785 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -54.67 -55.79 26.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' LEU . 2.6 ttm -58.4 -51.82 68.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -43.49 -40.46 3.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.655 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 90.4 t90 -67.49 -46.02 74.15 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.582 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.8 OUTLIER -55.11 -45.5 75.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.9 mt -63.66 -12.42 33.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.42 -5.04 12.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.788 ' O ' HD13 ' A' ' 74' ' ' ILE . 12.5 m-70 -136.09 28.78 3.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.583 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -77.59 -45.35 25.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -103.49 58.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.869 ' O ' HG22 ' A' ' 74' ' ' ILE . 2.0 m-20 -126.69 156.18 73.86 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -31.19 6.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.793 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.7 m-20 -67.13 -40.91 86.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.869 HG22 ' O ' ' A' ' 71' ' ' ASP . 4.2 tp -48.24 -25.31 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 73' ' ' ASP . 0.4 OUTLIER -93.55 -31.84 14.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -53.11 148.47 14.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 148.48 35.28 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 67.5 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.828 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.475 ' O ' HG23 ' A' ' 33' ' ' VAL . 18.4 t-20 -39.0 123.38 1.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 1.6 mt-10 -63.69 -28.34 69.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -42.17 67.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.864 HG23 ' HA ' ' A' ' 58' ' ' VAL . 38.0 mt -70.51 -38.81 75.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.593 HG13 ' HB2' ' A' ' 46' ' ' CYS . 96.4 t -72.92 -53.56 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -47.96 -28.52 2.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.582 ' NE2' HG21 ' A' ' 58' ' ' VAL . 45.6 mt-30 -79.39 -45.25 19.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.328 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.603 HD23 ' CE ' ' A' ' 39' ' ' MET . 16.8 mt -67.28 -53.05 33.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' A' ' 43' ' ' GLN . 86.9 t -50.9 -22.5 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.43 -38.9 14.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.603 ' CE ' HD23 ' A' ' 36' ' ' LEU . 13.0 mtm -58.27 -25.77 62.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.18 39.32 0.88 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 42.4 m-85 -115.7 177.45 4.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.777 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.443 ' HB2' ' CG ' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -93.94 117.78 30.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.497 ' HA ' HG22 ' A' ' 37' ' ' VAL . 64.8 tt0 -38.3 -63.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 43' ' ' GLN . 9.0 tp -39.43 -47.99 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.538 ' CB ' HD21 ' A' ' 65' ' ' LEU . 4.6 m170 -71.27 -49.37 43.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.575 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.593 ' HB2' HG13 ' A' ' 33' ' ' VAL . 73.8 m -46.47 -45.59 18.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 108.258 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.828 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 36.7 mt-30 -59.74 -57.45 12.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.524 ' O ' ' C ' ' A' ' 49' ' ' ALA . 30.3 mttt -49.36 -61.57 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.776 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -30.97 -71.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' SER . . . -45.47 -51.81 11.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' LYS . 57.5 mt -54.83 -48.51 73.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.641 ' OD1' ' CZ3' ' A' ' 64' ' ' TRP . 2.2 m120 -62.6 -13.68 34.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 56' ' ' ALA . 62.1 p -126.47 23.73 6.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER 40.08 39.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.993 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.646 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 46.1 40.61 7.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.318 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 53' ' ' THR . . . -63.18 -29.15 70.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 171.73 145.29 4.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.135 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.864 ' HA ' HG23 ' A' ' 32' ' ' ILE . 46.7 t -44.9 -55.6 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 5.2 pt-20 -50.17 -43.49 52.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.457 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.2 mt-10 -60.77 -48.48 81.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.776 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.37 -56.15 19.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.15 . . . . 0.0 109.371 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.869 ' HE2' HD11 ' A' ' 66' ' ' LEU . 3.5 ttp -58.08 -53.73 54.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -43.15 -40.47 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.649 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 90.2 t90 -66.68 -47.11 73.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 108.011 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.593 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 0.8 OUTLIER -54.53 -43.6 72.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.869 HD11 ' HE2' ' A' ' 62' ' ' MET . 23.8 mt -64.56 -11.74 37.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.06 -3.37 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.028 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.82 ' O ' HD13 ' A' ' 74' ' ' ILE . 18.9 m-70 -135.93 25.5 3.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.594 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -76.44 -44.59 35.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -103.02 56.18 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.898 ' O ' HG22 ' A' ' 74' ' ' ILE . 2.3 m-20 -123.21 155.83 64.17 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -32.21 5.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.4 OUTLIER -66.95 -40.46 87.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.898 HG22 ' O ' ' A' ' 71' ' ' ASP . 3.7 tp -48.18 -26.81 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -91.7 -31.52 15.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -55.61 148.23 36.18 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.84 37.19 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.506 1.793 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -149.76 143.98 25.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 0.745 . . . . 0.0 109.992 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.0 m -103.91 -59.39 1.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.017 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.5 111.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.67 113.62 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 110.027 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 p 179.17 122.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.99 157.69 28.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -128.45 132.38 7.28 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -105.4 -43.13 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 58.76 155.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.87 150.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.579 1.175 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 mt -105.65 156.63 36.17 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -177.43 3.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -107.6 91.22 3.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.57 -92.02 1.33 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.438 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 1.4 p -156.1 134.99 7.66 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 16' ' ' VAL . 18.3 Cg_endo -75.0 120.95 6.28 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.414 ' HG2' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER 61.2 143.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.266 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.414 ' N ' ' HG2' ' A' ' 18' ' ' GLU . 21.2 tt0 59.62 102.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.7 t -84.79 147.85 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.3 154.48 41.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.31 170.61 9.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 t -76.58 108.08 9.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -169.13 75.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -133.93 155.92 79.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.681 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -74.97 176.66 9.61 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.423 1.749 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.4 m -140.46 134.27 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.817 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -62.89 88.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -41.09 139.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 4.6 mp0 -75.93 -24.81 55.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -46.8 19.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.802 HD12 ' HB3' ' A' ' 55' ' ' ASN . 9.2 mt -67.28 -36.16 75.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 37' ' ' VAL . 16.8 t -74.7 -50.89 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -53.76 -30.8 46.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.514 ' CD ' HG21 ' A' ' 58' ' ' VAL . 53.6 mt-30 -75.59 -46.46 31.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.484 HD11 ' CB ' ' A' ' 61' ' ' ALA . 12.1 mt -66.92 -49.51 65.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.67 HG22 ' HA ' ' A' ' 43' ' ' GLN . 83.9 t -55.03 -19.7 4.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.128 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.65 -40.33 11.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.968 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.427 ' CE ' ' CG1' ' A' ' 58' ' ' VAL . 12.9 mtm -55.65 -27.47 50.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.83 39.21 0.66 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.438 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 50.6 m-85 -117.43 177.3 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 111.006 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -94.12 118.82 32.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.67 ' HA ' HG22 ' A' ' 37' ' ' VAL . 51.0 tt0 -38.58 -58.53 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 tp -40.34 -56.21 2.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.576 ' CD2' HG13 ' A' ' 74' ' ' ILE . 6.3 m170 -64.5 -50.5 67.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.58 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.438 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 73.3 m -45.64 -35.75 4.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 108.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.817 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 86.4 mt-30 -70.72 -59.81 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' ALA . 26.7 mttt -49.86 -58.37 5.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.801 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -39.28 -70.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -44.06 -59.83 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.681 HG23 ' HG2' ' A' ' 26' ' ' PRO . 55.2 mt -46.86 -55.15 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.4 ' OD1' ' NE1' ' A' ' 64' ' ' TRP . 3.9 m-80 -48.78 -31.38 6.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 49' ' ' ALA . 18.4 p -110.23 26.09 11.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 44.24 28.57 0.29 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.962 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.802 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 54.77 37.89 29.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' THR . . . -55.45 -39.58 70.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.65 150.26 10.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.794 ' HA ' HG23 ' A' ' 32' ' ' ILE . 71.9 t -47.54 -41.58 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.447 0.734 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 6.4 pt-20 -61.58 -45.24 94.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.5 mt-10 -61.31 -50.31 73.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.79 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.95 -57.37 10.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.876 ' HE2' HD11 ' A' ' 66' ' ' LEU . 3.0 ttp -55.31 -52.83 62.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -43.16 -45.51 5.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.653 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 76.8 t90 -61.77 -45.54 93.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 107.996 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.801 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -56.88 -44.11 81.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.876 HD11 ' HE2' ' A' ' 62' ' ' MET . 26.0 mt -64.69 -11.98 41.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.11 -3.34 12.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.027 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.778 ' O ' HD13 ' A' ' 74' ' ' ILE . 23.8 m-70 -134.16 22.64 3.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.595 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -77.47 -40.1 44.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -106.82 59.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.765 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.8 m-20 -131.21 155.56 81.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -31.73 5.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.1 m-20 -64.64 -39.59 93.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.778 HD13 ' O ' ' A' ' 68' ' ' HIS . 4.0 tp -46.52 -25.69 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.416 ' N ' ' C ' ' A' ' 73' ' ' ASP . 59.1 m-20 -91.63 -36.64 13.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -52.52 147.21 15.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.2 Cg_endo -75.04 152.35 40.49 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.783 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.7 mt -68.78 -51.72 42.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.45 100.04 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.015 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -143.49 -157.61 7.24 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 75.8 3.58 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.464 1.771 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 88.3 p -44.84 146.75 0.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.2 t -175.64 119.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.051 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.27 133.94 2.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 0.765 . . . . 0.0 109.993 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -103.76 -6.03 21.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.984 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.53 -159.7 17.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.12 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -136.03 157.06 47.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.767 . . . . 0.0 109.964 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -135.88 138.76 42.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.2 -137.63 5.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.448 1.093 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -159.2 161.1 31.8 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -91.07 113.89 26.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 0.791 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.1 161.02 1.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.487 ' H ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -74.12 154.84 38.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' LEU . 1.6 pp -39.46 99.86 0.2 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.0 67.68 5.89 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.516 1.798 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 40.47 89.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -86.87 86.06 1.55 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.694 HG13 ' HD2' ' A' ' 17' ' ' PRO . 77.5 t -64.31 142.98 98.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.764 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.694 ' HD2' HG13 ' A' ' 16' ' ' VAL . 18.2 Cg_endo -75.02 64.36 6.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -40.23 158.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -114.42 82.31 1.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.344 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.7 t -130.75 141.24 46.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.0 ptt? -50.67 130.8 25.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -105.7 150.88 25.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -101.03 173.17 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.054 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.72 88.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 23' ' ' SER . 12.9 pt20 -137.73 153.47 74.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.812 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.05 178.07 7.77 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.5 1.789 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' ASN . 5.5 m -141.3 125.83 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.772 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -52.53 91.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' VAL . 16.8 t-20 -40.21 131.24 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.486 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 2.1 mt-10 -69.86 -26.47 64.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.435 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -77.01 -46.26 24.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.749 HG23 ' HA ' ' A' ' 58' ' ' VAL . 8.4 mt -68.83 -36.75 75.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 37' ' ' VAL . 38.2 t -73.33 -47.73 45.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -55.1 -35.89 65.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.811 ' OE1' HG21 ' A' ' 58' ' ' VAL . 43.4 mt-30 -70.65 -50.08 40.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.57 HD11 ' CB ' ' A' ' 61' ' ' ALA . 19.3 mt -61.4 -52.65 63.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.628 HG22 ' HA ' ' A' ' 43' ' ' GLN . 83.1 t -53.53 -20.81 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.86 -40.77 12.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.967 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.571 ' CE ' ' CG1' ' A' ' 58' ' ' VAL . 12.0 mtm -56.59 -27.27 57.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.004 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.96 41.8 0.58 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.469 1.105 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.436 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 54.4 m-85 -119.22 172.79 7.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.409 ' HB2' ' ND1' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -88.97 117.45 28.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.971 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.628 ' HA ' HG22 ' A' ' 37' ' ' VAL . 53.1 tt0 -38.28 -60.88 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 tp -39.94 -54.96 2.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.556 ' CD2' HG13 ' A' ' 74' ' ' ILE . 3.8 m170 -63.68 -51.38 65.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.608 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 73.6 m -44.65 -37.77 3.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 108.278 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.772 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 93.3 mt-30 -68.26 -60.15 2.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -49.75 -54.49 18.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.808 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -44.6 -69.75 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -45.25 -61.27 1.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.812 HG23 ' HG2' ' A' ' 26' ' ' PRO . 58.6 mt -45.72 -57.53 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -46.83 -33.62 4.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 49' ' ' ALA . 27.0 p -109.42 33.02 4.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' ILE . 0.3 OUTLIER 37.33 35.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 109.975 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.694 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.1 OUTLIER 41.67 44.39 2.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.536 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . . . -65.6 -16.75 64.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 166.59 161.22 15.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.811 HG21 ' OE1' ' A' ' 35' ' ' GLN . 93.8 t -60.43 -42.67 91.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 3.7 pt-20 -59.55 -43.07 93.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.536 ' OE1' ' HB3' ' A' ' 56' ' ' ALA . 0.2 OUTLIER -63.37 -52.29 62.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.78 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.43 -57.32 10.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.877 ' HE2' HD11 ' A' ' 66' ' ' LEU . 2.4 ttp -54.52 -53.18 57.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -42.78 -46.71 5.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.654 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 75.7 t90 -60.52 -45.7 92.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 108.028 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.808 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -57.36 -43.78 83.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.877 HD11 ' HE2' ' A' ' 62' ' ' MET . 30.6 mt -63.85 -12.52 36.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.12 -6.82 12.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.759 ' O ' HD13 ' A' ' 74' ' ' ILE . 21.2 m-70 -132.4 26.93 4.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.621 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -80.12 -45.67 17.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -102.71 57.1 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.683 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -127.37 155.53 76.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -31.6 5.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.4 m-20 -63.76 -39.3 93.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.759 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.6 tp -45.29 -29.23 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -88.85 -36.89 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -50.27 147.75 7.1 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.1 Cg_endo -75.02 155.06 42.79 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 41.0 mt -73.86 -55.47 12.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 m -93.69 75.0 4.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.965 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 40.75 -161.71 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 87.5 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.03 105.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.7 p -64.93 132.08 48.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -165.24 -58.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.763 . . . . 0.0 109.976 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.91 169.35 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.031 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.77 -138.3 10.06 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t 63.34 146.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 109.986 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.1 p -134.07 153.45 51.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.21 -81.86 1.6 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.55 1.156 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.659 ' HA2' HD13 ' A' ' 12' ' ' LEU . . . -132.58 127.93 5.0 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.21 -36.99 10.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 179.68 101.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 44.15 82.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.659 HD13 ' HA2' ' A' ' 8' ' ' GLY . 0.5 OUTLIER -79.47 156.05 76.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 67.16 6.0 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 170.41 99.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.79 82.36 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.676 HG23 ' HD2' ' A' ' 17' ' ' PRO . 2.8 p -150.27 142.37 15.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.676 ' HD2' HG23 ' A' ' 16' ' ' VAL . 18.4 Cg_endo -74.99 75.79 3.59 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.485 1.782 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.6 71.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -173.86 86.06 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.6 p -121.09 149.23 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.37 144.59 46.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.64 95.79 10.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 0.0 110.259 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.54 146.16 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.84 94.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -120.03 153.69 55.32 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.745 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -74.98 176.7 9.56 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.773 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 29' ' ' ASN . 5.1 m -140.33 127.79 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.773 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -55.12 90.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' VAL . 19.3 t-20 -42.03 132.16 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.96 -26.36 63.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.431 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -76.47 -47.03 24.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.802 HG23 ' HA ' ' A' ' 58' ' ' VAL . 18.0 mt -67.21 -34.73 71.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.2 t -74.17 -51.28 24.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.28 -33.02 40.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.503 ' CD ' HG21 ' A' ' 58' ' ' VAL . 59.3 mt-30 -73.43 -47.57 40.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.505 HD23 ' CE ' ' A' ' 39' ' ' MET . 13.3 mt -65.58 -51.41 59.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.595 HG22 ' HA ' ' A' ' 43' ' ' GLN . 71.6 t -52.83 -21.44 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.9 -39.72 12.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.505 ' CE ' HD23 ' A' ' 36' ' ' LEU . 12.2 mtm -55.56 -27.66 50.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 110.999 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.31 36.66 0.85 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 44.8 m-85 -114.32 177.52 4.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.414 ' HB2' ' ND1' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -94.09 118.5 31.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.001 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.595 ' HA ' HG22 ' A' ' 37' ' ' VAL . 56.7 tt0 -39.02 -60.57 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' GLN . 5.8 tp -40.11 -50.54 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 3.7 m170 -69.74 -48.92 57.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.561 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.441 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 71.9 m -47.38 -32.13 4.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 108.26 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.773 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 94.5 mt-30 -74.05 -59.83 2.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -49.38 -58.05 5.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.863 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -40.13 -71.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.99 -60.19 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.745 HG23 ' HG2' ' A' ' 26' ' ' PRO . 52.5 mt -46.47 -56.92 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.42 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 4.7 m-80 -48.81 -32.94 9.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.677 HG23 ' O ' ' A' ' 49' ' ' ALA . 7.2 p -107.49 27.74 8.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.349 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.42 ' C ' ' CG ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER 40.67 35.46 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.974 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.706 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 45.14 36.47 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.36 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.78 -31.99 63.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.63 159.34 23.4 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.802 ' HA ' HG23 ' A' ' 32' ' ' ILE . 53.4 t -57.63 -42.08 80.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 5.9 pt-20 -61.7 -44.23 97.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 2.3 mt-10 -61.73 -50.94 70.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.775 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.05 -58.05 8.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.871 ' HE2' HD11 ' A' ' 66' ' ' LEU . 3.4 ttp -53.98 -53.53 51.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -42.56 -46.7 4.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.69 ' CZ2' ' CG ' ' A' ' 68' ' ' HIS . 72.0 t90 -60.47 -45.85 92.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 108.004 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.863 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -57.47 -40.97 79.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.871 HD11 ' HE2' ' A' ' 62' ' ' MET . 33.5 mt -67.04 -10.34 48.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.4 t -112.33 -19.15 12.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.768 ' O ' HD13 ' A' ' 74' ' ' ILE . 35.3 m-70 -118.18 20.67 13.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.593 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -70.75 -49.56 45.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.2 p30 -102.82 54.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.738 ' O ' HG22 ' A' ' 74' ' ' ILE . 3.1 m-20 -123.97 156.11 66.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -31.24 6.42 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 76' ' ' ALA . 4.1 m-20 -64.53 -38.94 92.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.768 HD13 ' O ' ' A' ' 68' ' ' HIS . 4.0 tp -45.85 -27.96 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -90.99 -35.8 14.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -50.05 146.25 8.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.3 Cg_endo -75.01 153.76 41.95 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.497 1.788 . . . . 0.0 110.95 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 51.7 mt -74.81 -53.95 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m -143.01 72.7 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -149.9 115.03 0.69 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 57.9 4.75 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.24 166.72 27.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.6 t -144.83 79.56 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.983 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.59 143.0 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.994 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -154.28 131.06 10.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.981 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.04 -95.77 0.31 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m -135.89 128.32 30.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 110.003 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 p -129.29 170.71 13.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.97 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.26 -102.29 1.05 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 168.77 -157.52 29.66 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -172.85 -39.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 39.86 80.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 mt -48.71 159.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.744 ' C ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -52.48 150.22 9.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.605 ' N ' HD22 ' A' ' 12' ' ' LEU . 18.3 Cg_endo -75.0 -89.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -84.07 112.56 20.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.49 ' CA ' HD21 ' A' ' 12' ' ' LEU . . . -122.71 -101.04 1.57 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.712 HG13 ' HD2' ' A' ' 17' ' ' PRO . 76.9 t -81.73 142.91 49.7 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.444 0.732 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.712 ' HD2' HG13 ' A' ' 16' ' ' VAL . 18.2 Cg_endo -75.02 55.97 4.12 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 60.63 121.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -173.04 99.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.6 p -174.34 142.21 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.77 157.99 35.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.23 139.75 8.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.2 p -167.73 159.6 11.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 56.3 82.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -157.17 151.87 20.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.825 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -75.01 177.49 8.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.457 1.767 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' ASN . 4.1 m -140.58 124.46 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.821 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -52.63 91.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 27' ' ' VAL . 16.8 t-20 -40.07 131.51 1.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -68.64 -27.52 66.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.401 ' CB ' ' OD1' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -75.44 -51.92 11.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.841 HG23 ' HA ' ' A' ' 58' ' ' VAL . 19.7 mt -60.26 -38.75 78.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.593 ' O ' HG23 ' A' ' 37' ' ' VAL . 27.5 t -72.55 -44.52 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.457 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -59.14 -30.01 67.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -77.25 -45.19 27.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.514 HD11 ' CB ' ' A' ' 61' ' ' ALA . 14.2 mt -67.78 -47.78 68.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 33' ' ' VAL . 83.8 t -57.12 -18.13 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.35 -38.57 11.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.99 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.432 ' CE ' ' CG1' ' A' ' 58' ' ' VAL . 13.0 mtm -58.95 -25.82 63.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.86 41.45 0.66 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.445 1.09 . . . . 0.0 110.977 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.443 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 54.7 m-85 -119.5 174.13 6.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.411 ' OG ' ' ND1' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -91.01 118.21 30.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.001 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.581 ' HA ' HG22 ' A' ' 37' ' ' VAL . 56.9 tt0 -39.12 -60.85 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' GLN . 5.1 tp -40.04 -52.75 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 3.6 m170 -66.8 -50.3 63.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.618 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.443 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 75.4 m -45.26 -36.35 3.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 108.353 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.821 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 87.5 mt-30 -69.1 -60.15 2.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 49' ' ' ALA . 24.6 mttt -48.92 -58.75 4.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.782 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -38.77 -71.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -43.48 -60.06 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.825 HG23 ' HG2' ' A' ' 26' ' ' PRO . 57.9 mt -46.76 -57.59 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.426 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 6.8 m-80 -49.09 -24.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' ALA . 41.3 p -117.18 30.88 7.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.406 ' C ' ' CG ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER 39.87 32.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.614 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 47.07 38.99 7.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.54 -41.64 77.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.52 149.51 11.13 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.841 ' HA ' HG23 ' A' ' 32' ' ' ILE . 57.9 t -46.13 -47.38 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.2 pt-20 -55.4 -44.32 76.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.6 mt-10 -61.94 -51.17 69.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.759 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.67 -57.89 8.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.863 ' HE2' HD11 ' A' ' 66' ' ' LEU . 2.8 ttp -53.95 -53.49 52.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -43.07 -46.6 5.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.652 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 73.6 t90 -60.64 -44.96 95.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 107.997 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.782 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -58.46 -42.71 88.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.353 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.863 HD11 ' HE2' ' A' ' 62' ' ' MET . 36.5 mt -63.98 -12.42 37.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.27 -8.93 12.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.771 ' O ' HD13 ' A' ' 74' ' ' ILE . 14.7 m-70 -131.46 29.3 4.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.624 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -81.7 -45.42 15.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -102.72 57.14 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.765 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.0 OUTLIER -126.19 155.67 73.38 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -31.61 6.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.436 1.756 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.2 OUTLIER -64.92 -37.86 89.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.771 HD13 ' O ' ' A' ' 68' ' ' HIS . 4.0 tp -47.51 -25.11 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 73' ' ' ASP . 0.1 OUTLIER -91.33 -35.48 14.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -54.13 147.18 27.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.4 Cg_endo -75.0 154.62 42.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.802 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 21.1 mt -70.99 -48.17 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.52 78.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.036 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -90.64 166.61 31.68 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.562 1.164 . . . . 0.0 110.984 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 83.82 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.1 t -56.25 138.25 50.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.6 t -157.67 -59.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.031 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 0.0 111.028 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 p -126.07 101.74 6.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 110.03 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.09 161.26 23.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.976 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.13 154.89 19.91 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.459 1.1 . . . . 0.0 111.036 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 t -129.8 108.0 9.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 110.048 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.26 94.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.21 -162.63 32.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.25 151.66 10.82 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.51 105.84 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.782 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -133.6 104.02 6.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.344 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 64.3 128.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 tp -113.47 112.93 48.5 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 132.64 15.61 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.547 1.814 . . . . 0.0 111.002 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -124.17 -49.86 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -158.6 69.66 0.26 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 35.4 m -145.71 154.68 52.24 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.486 0.756 . . . . 0.0 109.321 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 64.42 6.12 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -159.5 134.44 8.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -179.49 74.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.2 p -157.51 147.48 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.85 166.64 15.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -162.45 94.6 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.2 p -160.04 166.81 29.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.0 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.43 99.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -127.46 154.77 77.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.691 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.99 176.36 10.01 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 29' ' ' ASN . 6.3 m -142.22 129.54 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.757 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -56.6 90.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.575 ' O ' HG23 ' A' ' 33' ' ' VAL . 15.8 t-20 -41.62 135.81 2.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 4.8 mt-10 -70.26 -27.65 64.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -51.52 11.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.785 HD12 ' HB3' ' A' ' 55' ' ' ASN . 17.3 mt -61.47 -38.79 80.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.647 ' O ' HG23 ' A' ' 37' ' ' VAL . 56.8 t -71.72 -43.73 69.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -60.71 -32.51 71.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -74.36 -44.54 51.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.545 HD11 ' CB ' ' A' ' 61' ' ' ALA . 14.5 mt -69.39 -49.98 50.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 33' ' ' VAL . 81.8 t -54.77 -19.93 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.25 -39.97 11.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.469 ' CE ' HD23 ' A' ' 36' ' ' LEU . 12.2 mtm -54.44 -27.04 34.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.38 37.61 0.84 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.434 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 42.1 m-85 -113.89 -174.15 2.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.766 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -103.04 118.04 35.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.617 ' HA ' HG22 ' A' ' 37' ' ' VAL . 50.2 tt0 -38.18 -60.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.266 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 tp -39.98 -52.01 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.599 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 3.8 m170 -68.98 -49.32 58.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.613 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.434 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 73.7 m -47.19 -30.99 3.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 108.288 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.757 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 32.2 mt-30 -75.34 -59.7 2.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.455 ' CG ' HG12 ' A' ' 78' ' ' ILE . 25.7 mttt -49.56 -55.2 14.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.853 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -43.95 -70.23 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -44.54 -60.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.691 HG23 ' HG2' ' A' ' 26' ' ' PRO . 56.3 mt -46.24 -55.3 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.46 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 5.1 m-80 -48.37 -33.23 8.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 49' ' ' ALA . 17.8 p -108.02 27.55 9.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.387 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.87 28.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.785 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 53.04 35.67 20.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.601 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . . . -52.96 -43.23 66.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.71 155.58 25.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.143 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.737 ' HA ' HG23 ' A' ' 32' ' ' ILE . 40.2 t -53.09 -40.68 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 3.9 pt-20 -63.0 -43.24 99.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.601 ' OE1' ' HB3' ' A' ' 56' ' ' ALA . 0.3 OUTLIER -61.78 -51.47 68.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.794 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.41 -58.26 7.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.872 ' HE2' HD11 ' A' ' 66' ' ' LEU . 2.9 ttp -54.0 -53.24 55.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -43.61 -45.4 6.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.652 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 67.4 t90 -61.69 -44.39 97.04 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.853 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -58.56 -43.62 89.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.872 HD11 ' HE2' ' A' ' 62' ' ' MET . 26.1 mt -65.27 -11.52 42.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.01 -11.89 13.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 110.003 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.77 ' O ' HD13 ' A' ' 74' ' ' ILE . 15.1 m-70 -130.05 29.37 4.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.596 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -79.69 -45.3 19.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -103.43 63.45 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.791 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.5 OUTLIER -132.85 156.11 80.44 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -30.71 6.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.5 OUTLIER -66.14 -39.18 89.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.791 HG22 ' O ' ' A' ' 71' ' ' ASP . 4.1 tp -47.58 -25.65 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.4 -34.21 14.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -55.73 145.68 50.2 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 152.18 40.3 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.48 1.779 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.455 HG12 ' CG ' ' A' ' 48' ' ' LYS . 92.9 mt -71.03 -54.3 18.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 97.7 p -155.44 71.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -165.86 135.78 3.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 179.71 5.83 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 m -163.77 111.01 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 87.0 p -52.09 155.22 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -162.85 -68.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.983 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -169.1 170.48 8.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.979 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.27 176.73 19.83 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.91 165.31 11.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.93 145.87 37.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.48 155.66 6.7 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.123 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 9' ' ' GLU . . . 152.77 -97.65 0.17 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 1.8 tm-20 81.59 -72.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 0.733 . . . . 0.0 110.264 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 68.69 150.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 79.08 121.69 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -105.16 154.76 38.6 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -58.25 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 0.0 111.004 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -41.63 117.7 0.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 166.13 -71.25 0.18 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 16' ' ' VAL . 14.5 p -49.47 106.57 0.64 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.423 0.72 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.34 21.57 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.01 176.69 8.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -78.65 70.4 4.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 t -92.98 35.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.29 143.34 18.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -178.62 176.29 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.81 101.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.035 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -176.29 102.02 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -107.68 149.46 38.96 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.881 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.02 179.02 6.5 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.527 1.804 . . . . 0.0 111.024 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' ASN . 3.8 m -139.63 123.62 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.846 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -53.3 91.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.471 ' O ' HG23 ' A' ' 33' ' ' VAL . 16.5 t-20 -39.6 128.14 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -25.13 63.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' CB ' ' OD1' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -76.45 -42.83 42.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.817 HG23 ' HA ' ' A' ' 58' ' ' VAL . 13.6 mt -71.83 -34.55 51.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 37' ' ' VAL . 44.0 t -74.57 -51.92 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.1 -35.12 46.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.539 ' OE1' HG21 ' A' ' 58' ' ' VAL . 42.5 mt-30 -71.23 -48.98 48.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.324 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.66 HD11 ' CB ' ' A' ' 61' ' ' ALA . 10.0 mt -63.83 -57.32 10.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.635 HG22 ' HA ' ' A' ' 43' ' ' GLN . 90.8 t -46.07 -26.13 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -82.99 -42.08 17.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.03 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.458 ' CE ' ' CG1' ' A' ' 58' ' ' VAL . 11.7 mtm -54.89 -29.42 55.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.74 41.23 0.5 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.433 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 52.6 m-85 -118.46 175.26 5.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 0.764 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.476 ' HB2' ' CG ' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -91.99 118.03 30.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.635 ' HA ' HG22 ' A' ' 37' ' ' VAL . 58.9 tt0 -38.42 -62.49 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 tp -40.75 -51.07 3.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 7.2 m170 -65.15 -52.35 55.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.556 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.624 ' HA ' HD11 ' A' ' 65' ' ' LEU . 73.4 m -45.87 -40.85 10.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 108.342 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.846 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 94.5 mt-30 -63.45 -59.23 4.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.408 ' CG ' HG12 ' A' ' 78' ' ' ILE . 28.3 mttt -50.82 -58.52 5.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.826 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -40.17 -71.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -43.1 -59.02 2.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.881 HG23 ' HG2' ' A' ' 26' ' ' PRO . 62.8 mt -47.66 -58.41 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.56 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 11.2 m-80 -49.53 -23.7 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 49' ' ' ALA . 31.9 p -117.56 30.0 7.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER 37.53 36.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.017 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.737 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.1 OUTLIER 42.21 44.04 3.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.37 -35.13 76.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.36 153.02 12.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.817 ' HA ' HG23 ' A' ' 32' ' ' ILE . 75.8 t -50.81 -42.19 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.5 pt-20 -60.13 -45.17 93.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.478 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.1 mt-10 -60.9 -48.94 79.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.826 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.39 -56.02 20.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.3 ttm -57.51 -51.19 70.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -46.38 -38.85 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.651 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 53.7 t90 -70.01 -38.82 76.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 107.994 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.822 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 1.2 mt -65.21 -40.93 94.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.5 mt -68.81 -9.2 49.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 t -113.43 -18.4 12.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.056 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.865 ' O ' HD13 ' A' ' 74' ' ' ILE . 26.8 m-70 -119.61 19.1 12.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.599 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -70.93 -45.32 64.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -104.29 60.36 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.785 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -132.3 155.42 81.3 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -31.34 6.28 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.5 m-20 -64.12 -38.99 93.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.865 HD13 ' O ' ' A' ' 68' ' ' HIS . 4.4 tp -45.3 -29.17 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.12 -36.25 14.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -48.94 147.09 4.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.4 Cg_endo -75.0 154.96 42.87 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.449 1.763 . . . . 0.0 111.036 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.408 HG12 ' CG ' ' A' ' 48' ' ' LYS . 73.5 mt -77.07 -53.07 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.62 67.23 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.034 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.08 179.02 26.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.02 9.14 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.481 1.779 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.37 -60.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.3 t -71.21 -59.31 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.968 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.45 1.094 . . . . 0.0 111.015 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -119.54 138.31 53.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.033 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 m -163.04 157.9 21.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.17 62.38 0.31 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 m -157.08 150.0 23.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 110.016 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -124.34 162.51 23.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.0 -141.8 8.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -109.03 161.78 13.02 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.91 -44.84 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 0.792 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -98.28 134.54 41.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.774 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -161.05 127.97 4.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.663 HD12 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -174.15 153.27 1.96 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.613 ' HD2' HD23 ' A' ' 12' ' ' LEU . 18.3 Cg_endo -75.0 166.41 29.26 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.13 91.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.16 90.21 1.4 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 12.9 p -55.77 135.0 72.39 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.783 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 16' ' ' VAL . 18.4 Cg_endo -74.98 115.52 4.31 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.93 128.95 39.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.98 54.69 3.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.5 p -170.47 149.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.83 146.07 29.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -174.13 67.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m 40.04 79.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.36 106.73 2.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -110.71 151.81 43.09 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.757 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.95 177.16 8.95 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' ASN . 5.8 m -141.74 126.44 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.814 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -53.91 91.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.67 ' O ' HG23 ' A' ' 33' ' ' VAL . 14.6 t-20 -42.45 132.54 3.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -69.05 -27.93 66.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.263 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -51.95 12.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.72 HD12 ' CB ' ' A' ' 55' ' ' ASN . 24.5 mt -60.14 -40.66 84.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 29' ' ' ASN . 88.9 t -70.41 -45.26 75.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -58.05 -32.88 68.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -74.02 -47.23 38.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.705 HD11 ' CB ' ' A' ' 61' ' ' ALA . 14.2 mt -65.22 -55.55 17.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.621 HG22 ' HA ' ' A' ' 43' ' ' GLN . 78.6 t -48.49 -24.41 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -84.74 -41.9 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.031 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.445 ' HE1' HD23 ' A' ' 36' ' ' LEU . 11.1 mtm -55.02 -29.51 57.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.76 40.86 0.55 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.434 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 52.5 m-85 -118.01 174.35 6.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.419 ' HB2' ' ND1' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -89.84 117.28 28.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.621 ' HA ' HG22 ' A' ' 37' ' ' VAL . 54.7 tt0 -38.59 -61.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 tp -40.42 -54.79 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 4.1 m170 -63.07 -52.05 64.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.62 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.49 ' HA ' HD11 ' A' ' 65' ' ' LEU . 71.4 m -44.46 -41.05 6.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 108.268 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.814 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 87.3 mt-30 -63.52 -59.88 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HE2' ' CG1' ' A' ' 78' ' ' ILE . 17.4 mttm -49.86 -59.05 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.827 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -38.88 -71.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -42.97 -60.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.757 HG23 ' HG2' ' A' ' 26' ' ' PRO . 58.0 mt -47.09 -56.96 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.568 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 8.1 m-80 -49.38 -25.69 2.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.1 p -115.55 28.88 8.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.378 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.426 ' C ' ' CG ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER 40.77 33.48 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.007 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.72 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 47.15 37.23 5.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.69 -41.56 67.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.43 160.44 33.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.717 ' HA ' HG23 ' A' ' 32' ' ' ILE . 29.0 t -57.47 -44.49 84.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.451 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.2 pt-20 -59.91 -42.96 95.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.451 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.8 mt-10 -61.25 -48.52 81.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.827 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.06 -55.57 22.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.4 ttm -57.96 -51.69 68.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -44.93 -40.12 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.657 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 65.4 t90 -67.77 -41.97 82.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 108.003 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.753 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 1.1 mt -61.52 -43.77 98.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.9 mt -65.36 -11.31 40.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -112.98 -12.81 13.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.029 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.778 ' O ' HD13 ' A' ' 74' ' ' ILE . 12.5 m-70 -130.03 30.54 4.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.57 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -82.23 -42.35 19.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.956 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -104.85 59.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.702 ' O ' HG22 ' A' ' 74' ' ' ILE . 3.0 m-20 -129.47 155.33 80.33 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -31.42 6.29 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.486 1.782 . . . . 0.0 111.004 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.1 m-20 -64.24 -39.41 93.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.778 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.7 tp -45.94 -27.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 73' ' ' ASP . 27.2 m-20 -90.18 -37.11 14.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -50.31 146.97 8.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.2 Cg_endo -75.03 150.38 37.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.416 ' CG1' ' HE2' ' A' ' 48' ' ' LYS . 27.8 mt -68.1 -52.32 39.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.2 m -149.3 81.22 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -162.02 170.92 37.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.28 14.77 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 84.0 p -146.13 142.06 28.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.19 108.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.021 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -178.97 169.3 1.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 0.757 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.13 159.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.961 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.64 -79.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.7 85.09 2.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.763 . . . . 0.0 109.96 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -85.29 109.51 18.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.49 -132.93 3.25 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 151.1 -28.07 1.0 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -112.7 28.03 9.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -39.22 133.5 1.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mp -92.35 178.57 5.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.24 157.9 33.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 167.72 26.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.61 95.85 5.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -92.38 83.38 1.15 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.667 HG13 ' HD2' ' A' ' 17' ' ' PRO . 72.9 t -55.49 142.48 60.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.667 ' HD2' HG13 ' A' ' 16' ' ' VAL . 18.5 Cg_endo -74.97 65.68 6.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.496 1.787 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.79 145.87 49.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.5 56.1 3.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.6 t 63.56 150.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.246 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.1 mtt -80.76 172.96 13.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -91.68 57.59 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.454 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 4.0 t 178.68 97.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.061 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 23' ' ' SER . . . 177.95 102.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -107.13 150.93 40.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.708 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.03 176.34 10.05 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.3 m -139.99 131.03 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.79 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -59.25 89.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -42.05 126.47 3.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.53 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 7.2 mt-10 -66.49 -24.23 66.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.339 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.77 -47.63 18.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.253 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.809 HG23 ' HA ' ' A' ' 58' ' ' VAL . 17.0 mt -66.41 -39.51 84.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.6 t -71.28 -50.13 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -51.91 -31.34 28.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.426 ' NE2' HG21 ' A' ' 58' ' ' VAL . 34.9 mt-30 -75.97 -46.81 27.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.574 HD23 ' HE1' ' A' ' 39' ' ' MET . 8.3 mt -65.69 -55.54 16.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' A' ' 43' ' ' GLN . 74.1 t -48.6 -24.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -85.17 -40.85 16.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.574 ' HE1' HD23 ' A' ' 36' ' ' LEU . 11.3 mtm -55.78 -28.58 56.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.996 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.3 41.46 0.58 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.092 . . . . 0.0 111.034 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.431 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 50.0 m-85 -117.92 172.87 7.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.478 ' HB2' ' CG ' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -89.9 115.31 27.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.984 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.493 ' HA ' HG22 ' A' ' 37' ' ' VAL . 49.7 tt0 -39.04 -63.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' GLN . 6.3 tp -39.24 -42.07 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.586 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 8.2 m170 -75.97 -49.44 17.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.616 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.655 ' HA ' HD11 ' A' ' 65' ' ' LEU . 97.2 m -48.81 -40.7 30.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 108.309 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.79 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 35.5 mt-30 -62.81 -57.5 10.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -52.89 -58.14 7.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.85 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -40.19 -72.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -43.29 -61.99 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.708 HG23 ' HG2' ' A' ' 26' ' ' PRO . 59.2 mt -45.08 -57.29 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.523 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 3.2 m-80 -49.01 -31.53 7.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' ALA . 3.1 p -107.9 26.62 10.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.84 27.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.753 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 53.21 34.24 17.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.72 -45.02 48.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.09 152.24 18.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.428 1.08 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.809 ' HA ' HG23 ' A' ' 32' ' ' ILE . 57.5 t -48.12 -45.66 12.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.477 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.8 pt-20 -57.94 -45.0 87.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.477 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -61.71 -48.47 80.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.85 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.04 -54.83 29.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.138 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.5 ttm -58.83 -50.82 72.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -45.97 -39.07 8.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.655 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 52.7 t90 -68.44 -41.07 80.83 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.846 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 1.2 mt -62.64 -43.67 98.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.3 mt -67.58 -9.82 46.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.86 -5.66 12.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.824 ' O ' HD13 ' A' ' 74' ' ' ILE . 22.6 m-70 -132.47 20.09 4.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.624 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -75.05 -40.74 60.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.973 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -104.55 60.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.833 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -132.81 154.71 81.54 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.3 4.71 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.802 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 76' ' ' ALA . 2.7 m-20 -63.97 -38.32 90.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.833 HG22 ' O ' ' A' ' 71' ' ' ASP . 4.5 tp -46.12 -27.73 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.28 -36.77 15.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -49.91 145.05 9.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.2 Cg_endo -75.0 153.7 41.94 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.452 1.764 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 26.1 mt -74.38 -50.49 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.1 t -111.47 106.18 14.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 110.028 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -37.88 121.18 0.94 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.117 . . . . 0.0 111.024 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 157.18 42.85 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.507 1.793 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.9 m -156.18 173.1 17.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 110.017 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 m -101.31 132.87 46.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.973 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 p -93.59 139.56 30.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 0.794 . . . . 0.0 109.999 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 p -137.84 94.71 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.4 -177.27 42.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.547 1.155 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.0 t -121.13 129.79 53.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.59 85.4 1.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.46 132.19 2.6 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.41 -132.05 5.09 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.81 -39.62 94.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.794 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 44.84 77.49 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.86 145.79 28.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.658 HD12 ' O ' ' A' ' 13' ' ' PRO . 4.1 pp -78.04 154.61 80.18 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.658 ' O ' HD12 ' A' ' 12' ' ' LEU . 18.2 Cg_endo -75.03 167.97 25.85 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 178.23 90.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -158.4 60.67 0.32 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 16' ' ' VAL . 14.2 p -52.27 107.59 0.87 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 66.81 6.02 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.55 1.816 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -41.89 153.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 20' ' ' VAL . 0.6 OUTLIER -126.42 68.72 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.432 HG13 ' N ' ' A' ' 21' ' ' MET . 0.4 OUTLIER 55.51 168.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.432 ' N ' HG13 ' A' ' 20' ' ' VAL . 7.7 ttt -78.36 120.75 23.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -153.6 157.99 40.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.94 90.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.519 ' O ' ' CB ' ' A' ' 25' ' ' GLN . . . -134.55 51.81 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER 88.41 152.55 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.894 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.5 Cg_endo -74.98 177.91 7.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 0.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' ASN . 3.8 m -140.21 123.83 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.825 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -53.28 91.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' VAL . 13.9 t-20 -39.07 130.13 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -69.94 -25.42 63.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.81 -47.24 26.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.802 HG23 ' HA ' ' A' ' 58' ' ' VAL . 17.3 mt -66.73 -38.37 81.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.558 ' O ' HG23 ' A' ' 37' ' ' VAL . 25.0 t -71.45 -46.33 64.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -58.55 -27.58 64.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.443 ' CD ' HG21 ' A' ' 58' ' ' VAL . 32.8 mt-30 -79.49 -43.84 22.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.619 HD11 ' CB ' ' A' ' 61' ' ' ALA . 16.3 mt -69.49 -48.25 61.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.623 HG22 ' HA ' ' A' ' 43' ' ' GLN . 81.4 t -55.01 -20.93 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.46 -39.85 11.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.979 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.446 ' CE ' ' CG1' ' A' ' 58' ' ' VAL . 11.7 mtm -56.45 -26.86 55.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.44 37.64 0.78 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 53.6 m-85 -115.97 174.79 5.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.416 ' HB2' ' ND1' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -92.31 117.99 30.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.993 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.623 ' HA ' HG22 ' A' ' 37' ' ' VAL . 55.5 tt0 -38.06 -60.66 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tp -41.31 -52.74 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 7.5 m170 -65.78 -51.06 62.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.622 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.441 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 79.2 m -44.36 -37.44 3.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.825 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 83.9 mt-30 -68.59 -59.82 2.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.46 ' HE2' ' CG1' ' A' ' 78' ' ' ILE . 19.7 mttt -49.33 -55.36 13.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.815 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -43.1 -69.09 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -45.27 -60.4 2.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.894 HG23 ' HG2' ' A' ' 26' ' ' PRO . 58.4 mt -46.52 -57.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.557 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 7.0 m-80 -48.1 -25.04 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 49' ' ' ALA . 12.3 p -119.33 32.44 6.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER 36.99 34.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.984 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.742 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.2 OUTLIER 41.77 44.74 2.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.468 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . . . -64.27 -28.98 70.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.17 148.59 7.81 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.802 ' HA ' HG23 ' A' ' 32' ' ' ILE . 92.8 t -48.11 -43.81 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.425 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 3.2 pt-20 -58.24 -41.74 84.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.468 ' OE1' ' HB3' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -63.36 -50.18 70.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.815 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.27 -55.36 25.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.459 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.4 ttm -57.8 -51.84 67.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -45.22 -40.68 7.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.088 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.65 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 74.8 t90 -67.3 -41.4 85.45 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.682 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -63.54 -41.81 98.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.5 mt -64.96 -11.61 40.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.0 m -116.63 -9.66 11.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.809 ' O ' HD13 ' A' ' 74' ' ' ILE . 11.0 m-70 -130.26 27.7 5.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.581 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -76.5 -42.31 43.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -112.06 59.69 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.637 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -122.12 156.17 60.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.405 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 18.3 Cg_endo -75.01 -14.69 21.05 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.461 1.769 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 76' ' ' ALA . 4.1 m-20 -83.86 -39.08 20.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.809 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.9 tp -46.17 -30.02 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 72' ' ' PRO . 2.3 p30 -89.17 -34.38 16.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -53.5 146.95 22.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.2 Cg_endo -74.99 153.74 42.02 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.464 1.771 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.46 ' CG1' ' HE2' ' A' ' 48' ' ' LYS . 38.8 mt -72.32 -53.56 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.11 77.36 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.64 168.03 33.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -50.88 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.5 1.789 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.4 t -136.79 -58.18 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.4 103.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.78 93.39 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.942 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.72 96.6 1.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.95 -121.07 2.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.0 p -175.72 126.2 0.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 0.732 . . . . 0.0 110.014 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -153.44 91.15 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.057 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.01 144.68 4.55 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.92 153.23 1.59 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -108.61 117.82 35.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 110.321 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.61 101.23 2.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -176.77 80.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mt -174.8 102.54 0.27 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 132.63 15.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.2 t70 174.29 104.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.44 74.23 0.24 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 m -148.43 155.39 42.37 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.512 0.772 . . . . 0.0 109.264 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 58.74 4.94 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 41.66 -161.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -123.81 55.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.733 HG12 ' O ' ' A' ' 20' ' ' VAL . 80.9 t -131.65 34.8 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.2 mtt -150.51 173.14 14.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -48.85 176.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.253 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.4 t -39.48 116.58 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.517 ' O ' ' CB ' ' A' ' 25' ' ' GLN . . . -115.3 78.65 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.517 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 0.6 OUTLIER 87.72 151.37 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.687 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.0 176.68 9.6 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.54 1.811 . . . . 0.0 111.051 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.4 m -139.65 133.56 37.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.842 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -62.61 88.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.472 ' O ' HG23 ' A' ' 33' ' ' VAL . 18.2 t-20 -40.59 139.83 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 4.3 mp0 -76.05 -24.8 55.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.32 -49.16 14.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.802 HD12 ' HB3' ' A' ' 55' ' ' ASN . 12.3 mt -63.86 -36.78 77.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.518 ' O ' HG23 ' A' ' 37' ' ' VAL . 46.6 t -74.31 -53.25 17.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -51.52 -29.18 15.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -77.35 -45.79 24.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.487 HD11 ' HB3' ' A' ' 61' ' ' ALA . 12.2 mt -68.19 -45.38 73.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.641 HG22 ' HA ' ' A' ' 43' ' ' GLN . 96.1 t -58.48 -17.52 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.67 -41.42 11.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.48 ' HE1' HD23 ' A' ' 36' ' ' LEU . 21.3 mtm -57.25 -14.76 4.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.0 31.55 4.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.436 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 5.4 m-85 -102.91 -175.17 2.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.444 ' HB2' ' CG ' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -102.93 117.09 33.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.641 ' HA ' HG22 ' A' ' 37' ' ' VAL . 46.6 tt0 -38.04 -61.07 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.0 tp -40.62 -55.63 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.558 ' CD2' HG13 ' A' ' 74' ' ' ILE . 3.3 m170 -63.59 -51.35 65.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.587 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 73.4 m -45.6 -37.51 5.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 108.338 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.842 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 34.1 mt-30 -68.65 -60.21 2.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' ALA . 28.0 mttt -48.89 -59.57 3.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.827 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -38.89 -72.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -42.01 -59.58 1.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.687 HG23 ' HG2' ' A' ' 26' ' ' PRO . 56.7 mt -47.63 -55.42 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.494 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 3.9 m-80 -49.7 -27.9 5.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.2 p -112.81 25.52 11.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 110.412 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 44.61 27.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.802 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 54.89 36.37 26.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.527 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . . . -54.56 -39.31 67.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.59 148.11 8.55 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.8 ' HA ' HG23 ' A' ' 32' ' ' ILE . 99.8 t -44.77 -50.95 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.763 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.443 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 3.4 pt-20 -53.38 -42.79 67.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.527 ' OE1' ' HB3' ' A' ' 56' ' ' ALA . 0.2 OUTLIER -63.63 -51.22 66.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.774 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.26 -56.91 11.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.816 ' HE2' HD11 ' A' ' 66' ' ' LEU . 2.9 ttp -54.86 -53.0 61.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -43.2 -46.27 5.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.649 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 69.6 t90 -60.81 -44.81 96.4 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.827 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -58.55 -43.55 89.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.816 HD11 ' HE2' ' A' ' 62' ' ' MET . 36.1 mt -62.54 -13.27 28.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.81 -13.96 13.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.019 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.783 ' O ' HD13 ' A' ' 74' ' ' ILE . 14.3 m-70 -127.5 32.36 5.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.594 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -84.07 -42.58 15.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.973 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -104.4 46.89 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.709 ' O ' HG22 ' A' ' 74' ' ' ILE . 2.7 m-20 -114.62 155.34 46.21 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -32.51 5.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 110.995 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 76' ' ' ALA . 2.6 m-20 -63.51 -38.01 89.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.783 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.8 tp -45.68 -28.57 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -88.78 -37.15 15.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.143 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -50.94 146.75 9.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.3 Cg_endo -75.03 151.54 39.51 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 70.1 mt -71.06 -52.37 27.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.6 m -156.72 75.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.031 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 65.12 -166.25 33.39 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 139.83 24.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 0.0 110.955 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.2 m -96.45 135.88 37.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.3 p -65.29 126.67 28.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.941 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 t -173.59 124.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 0.797 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -138.82 -57.77 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.948 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.44 -175.4 34.37 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 p -171.28 163.06 7.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 0.799 . . . . 0.0 109.957 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 m 55.46 105.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.62 -159.99 31.96 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.85 117.86 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -148.53 -45.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -62.97 127.44 31.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.26 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.87 118.33 20.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.724 ' C ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -52.24 151.14 7.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.608 ' N ' HD22 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -75.06 128.13 11.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.36 95.19 4.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.67 85.46 0.73 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.8 p -73.55 138.53 77.56 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 149.93 37.32 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.411 ' O ' ' CB ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -110.13 140.18 44.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' A' ' 18' ' ' GLU . 1.5 mt-10 166.87 125.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.55 87.12 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -134.28 8.82 3.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -124.37 140.34 53.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.357 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.0 t -102.48 120.49 40.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -175.24 87.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -122.17 153.17 61.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.788 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.01 177.62 8.35 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 29' ' ' ASN . 5.9 m -143.17 124.26 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.681 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -50.83 93.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.647 ' O ' HG23 ' A' ' 33' ' ' VAL . 18.5 t-20 -44.15 135.32 4.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -70.36 -21.6 62.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 110.338 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.69 -53.53 6.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.874 HD12 ' HB3' ' A' ' 55' ' ' ASN . 6.9 mt -60.88 -38.13 78.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 29' ' ' ASN . 83.9 t -71.76 -46.93 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -58.59 -31.58 68.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -74.54 -40.53 61.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.649 HD11 ' CB ' ' A' ' 61' ' ' ALA . 16.4 mt -73.39 -52.93 12.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.64 HG22 ' HA ' ' A' ' 43' ' ' GLN . 93.3 t -52.0 -21.95 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.11 -41.59 13.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.989 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.407 ' CE ' HD23 ' A' ' 36' ' ' LEU . 12.7 mtm -55.08 -27.1 42.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.81 37.09 0.85 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.433 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 52.1 m-85 -112.87 177.01 4.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.763 . . . . 0.0 111.03 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.423 ' OG ' ' ND1' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -93.91 116.71 29.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.64 ' HA ' HG22 ' A' ' 37' ' ' VAL . 57.9 tt0 -37.31 -61.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 tp -40.42 -54.75 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 3.7 m170 -63.88 -51.54 64.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.581 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.433 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 71.5 m -44.03 -38.36 3.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 108.292 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.681 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 84.0 mt-30 -68.52 -60.5 2.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -48.4 -52.54 21.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.862 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -49.87 -68.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.774 ' HB1' ' OD1' ' A' ' 55' ' ' ASN . . . -44.82 -60.13 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.788 HG23 ' HG2' ' A' ' 26' ' ' PRO . 62.6 mt -49.34 -54.94 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.53 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 3.1 m-80 -47.22 -29.26 2.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 55' ' ' ASN . 38.6 p -113.55 34.3 4.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.377 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 51' ' ' ILE . 0.3 OUTLIER 38.02 30.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.874 ' HB3' HD12 ' A' ' 32' ' ' ILE . 7.9 m-80 45.24 45.99 9.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.624 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . . . -65.31 -33.97 77.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.51 154.39 16.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.762 ' HA ' HG23 ' A' ' 32' ' ' ILE . 76.1 t -50.95 -46.6 30.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.1 pt-20 -56.6 -44.18 80.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.354 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.624 ' OE1' ' HB3' ' A' ' 56' ' ' ALA . 0.3 OUTLIER -61.04 -50.24 74.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.791 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.22 -57.18 11.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.7 ttm -55.98 -52.27 64.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.1 -43.54 4.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.652 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 72.4 t90 -65.2 -43.93 89.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 108.04 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.862 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -60.27 -42.13 94.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.1 mt -64.93 -11.55 39.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -114.08 -14.4 12.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.793 ' O ' HD13 ' A' ' 74' ' ' ILE . 13.5 m-70 -127.76 31.13 5.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.543 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -82.59 -43.01 17.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -104.81 56.68 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.73 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.2 m-20 -126.16 155.65 73.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -31.63 6.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.6 OUTLIER -64.03 -39.17 93.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.793 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.8 tp -46.54 -25.83 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 73' ' ' ASP . 60.8 m-20 -90.56 -36.69 14.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -52.63 145.28 21.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 154.99 42.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.8 mt -75.11 -53.84 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.65 75.65 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.82 164.79 48.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 60.33 5.41 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.498 1.788 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.1 t 58.18 86.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.5 p -106.78 124.87 50.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.441 1.088 . . . . 0.0 111.004 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.12 147.81 2.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 m -122.87 135.38 54.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.28 155.83 16.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.438 1.086 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.31 161.24 26.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.748 . . . . 0.0 110.023 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.91 103.9 5.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.41 137.53 49.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 10' ' ' GLU . . . -64.75 -73.1 0.61 Allowed Glycine 0 CA--C 1.531 1.06 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 68.92 -63.27 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 0.785 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 8' ' ' GLY . 11.5 mt-10 66.6 134.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 mp -82.24 179.86 7.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mp -100.14 108.84 54.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.236 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 167.45 27.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.538 1.809 . . . . 0.0 111.006 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.32 96.19 5.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.16 -64.23 0.78 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.718 HG22 ' HD2' ' A' ' 17' ' ' PRO . 0.5 OUTLIER 60.71 150.85 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.791 . . . . 0.0 109.254 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.718 ' HD2' HG22 ' A' ' 16' ' ' VAL . 18.2 Cg_endo -75.08 56.2 4.23 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.461 1.769 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -177.73 48.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.273 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.73 114.08 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.251 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.7 p -172.82 148.16 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.4 mtp -97.65 173.33 7.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.05 144.1 20.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.45 84.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.509 ' O ' ' CB ' ' A' ' 25' ' ' GLN . . . -128.09 83.8 2.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.359 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.509 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER 86.79 146.32 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.263 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.782 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.03 177.16 8.96 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.516 1.798 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' ASN . 4.7 m -141.2 125.82 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.806 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -53.19 91.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.508 ' O ' HG23 ' A' ' 33' ' ' VAL . 16.5 t-20 -42.25 130.27 3.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 5.4 mt-10 -69.26 -26.72 64.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -49.55 17.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.112 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.778 HG23 ' HA ' ' A' ' 58' ' ' VAL . 15.4 mt -64.33 -38.47 82.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.586 ' O ' HG23 ' A' ' 37' ' ' VAL . 56.1 t -71.6 -47.54 57.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -57.21 -33.04 67.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -73.51 -48.06 36.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.522 ' HA ' ' HE3' ' A' ' 39' ' ' MET . 6.7 mt -65.51 -55.79 15.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.65 HG22 ' HA ' ' A' ' 43' ' ' GLN . 89.0 t -46.65 -25.64 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -77.25 -41.02 42.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.032 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.522 ' HE3' ' HA ' ' A' ' 36' ' ' LEU . 16.7 mtt -56.82 -29.93 63.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.09 -11.67 5.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.423 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 45.6 m-85 -59.37 174.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -96.83 117.32 30.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.034 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.65 ' HA ' HG22 ' A' ' 37' ' ' VAL . 54.2 tt0 -35.09 -60.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.2 tp -40.51 -49.6 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.545 ' CD2' HG13 ' A' ' 74' ' ' ILE . 3.7 m170 -68.5 -51.39 43.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.626 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.423 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 76.4 m -45.87 -41.55 11.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 108.304 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.806 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 33.5 mt-30 -64.6 -59.37 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.45 ' CG ' HG12 ' A' ' 78' ' ' ILE . 28.6 mttt -50.98 -56.59 11.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.805 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -42.82 -70.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -43.48 -60.0 1.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.782 HG23 ' HG2' ' A' ' 26' ' ' PRO . 56.4 mt -47.38 -57.08 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.566 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 5.8 m-80 -48.23 -24.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' SER . 35.3 p -119.47 31.83 6.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER 37.38 36.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.029 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.756 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.1 OUTLIER 42.4 43.51 3.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.69 -38.26 81.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.99 147.1 9.12 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.778 ' HA ' HG23 ' A' ' 32' ' ' ILE . 80.1 t -46.69 -36.91 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.487 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.9 pt-20 -64.32 -45.41 88.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.487 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 4.8 mt-10 -62.43 -48.08 81.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.805 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.47 -54.94 29.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.2 ttm -58.23 -51.23 70.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -45.34 -40.07 7.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.65 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 66.1 t90 -67.66 -41.47 83.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 107.994 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.774 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.9 OUTLIER -61.79 -45.4 94.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.9 mt -64.65 -12.09 42.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.91 -6.35 13.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.03 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.794 ' O ' HD13 ' A' ' 74' ' ' ILE . 15.6 m-70 -133.54 26.11 4.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.61 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -79.12 -42.12 27.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -105.53 59.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.74 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.6 OUTLIER -130.78 155.42 81.39 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -31.27 6.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.544 1.813 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.0 OUTLIER -64.31 -38.23 90.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.794 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.9 tp -47.37 -28.99 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.76 -33.17 17.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -56.09 144.03 60.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 158.67 42.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.45 HG12 ' CG ' ' A' ' 48' ' ' LYS . 68.8 mt -78.66 -59.01 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.2 t -122.13 -1.87 9.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.6 -147.74 42.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 148.53 35.37 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.522 1.801 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.74 121.52 37.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.034 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.9 t -156.85 118.12 3.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.471 1.107 . . . . 0.0 110.968 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -116.38 89.17 3.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 0.0 109.944 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -145.63 -58.97 0.33 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.57 144.67 4.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 p -136.59 -58.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 110.008 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.735 ' HB3' HD21 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -158.46 107.73 2.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.008 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.71 71.52 1.87 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -134.72 -169.06 11.85 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -121.11 -40.73 2.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.744 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.93 -31.61 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.735 HD21 ' HB3' ' A' ' 6' ' ' SER . 0.8 OUTLIER 62.04 139.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.421 HD12 ' O ' ' A' ' 13' ' ' PRO . 0.2 OUTLIER 69.5 141.82 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.421 ' O ' HD12 ' A' ' 12' ' ' LEU . 18.3 Cg_endo -74.99 129.15 12.08 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -152.29 80.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.39 83.83 0.13 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.548 HG13 ' O ' ' A' ' 16' ' ' VAL . 12.9 p -127.28 106.42 21.61 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.444 0.732 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 97.66 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -164.58 177.09 8.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 58.84 93.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.5 p -149.59 150.96 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.53 26.21 1.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 58.62 160.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.67 78.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 25' ' ' GLN . . . -129.43 95.26 3.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 0.7 OUTLIER 85.64 151.31 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.698 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.04 176.54 9.79 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.534 1.808 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.5 m -140.01 133.43 35.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.803 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -61.84 88.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -40.62 128.09 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.566 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 19.6 mt-10 -67.21 -24.46 65.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.89 -49.91 13.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.812 HG23 ' HA ' ' A' ' 58' ' ' VAL . 15.9 mt -63.52 -40.89 90.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.1 t -70.25 -50.52 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -50.11 -30.88 12.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.529 ' OE1' HG21 ' A' ' 58' ' ' VAL . 44.4 mt-30 -76.72 -46.95 23.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.539 HD23 ' CE ' ' A' ' 39' ' ' MET . 10.9 mt -65.2 -51.57 60.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 43' ' ' GLN . 72.1 t -53.96 -20.36 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.84 -40.44 12.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.02 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.539 ' CE ' HD23 ' A' ' 36' ' ' LEU . 11.1 mtm -56.11 -28.27 57.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.08 41.76 0.58 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.433 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 49.1 m-85 -118.41 176.69 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.42 ' HB2' ' ND1' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -93.49 116.92 29.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.002 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.481 ' HA ' HG22 ' A' ' 37' ' ' VAL . 54.3 tt0 -40.48 -61.35 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 43' ' ' GLN . 6.1 tp -40.0 -44.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 6.6 m170 -75.08 -49.08 20.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.583 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.712 ' HA ' HD11 ' A' ' 65' ' ' LEU . 81.8 m -48.36 -39.81 23.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 108.275 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.803 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 36.2 mt-30 -63.56 -57.75 9.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' ALA . 22.7 mttt -51.47 -59.81 3.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.871 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -37.89 -73.73 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -42.17 -62.19 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.698 HG23 ' HG2' ' A' ' 26' ' ' PRO . 57.7 mt -45.03 -57.44 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.404 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 3.6 m-80 -48.47 -32.03 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.7 p -108.03 27.43 9.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.376 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.2 27.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.791 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 52.46 35.97 19.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.85 -41.78 62.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.26 151.58 13.11 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.812 ' HA ' HG23 ' A' ' 32' ' ' ILE . 57.8 t -45.95 -50.93 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.475 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.4 pt-20 -53.42 -44.87 69.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.475 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.4 mt-10 -61.73 -51.38 68.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.829 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.83 -56.97 11.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.884 ' HE2' HD11 ' A' ' 66' ' ' LEU . 3.0 ttp -55.4 -52.68 62.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.56 -45.68 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.657 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 66.4 t90 -60.99 -45.23 95.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 107.98 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.871 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 1.6 mt -57.77 -42.65 84.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.884 HD11 ' HE2' ' A' ' 62' ' ' MET . 23.9 mt -67.89 -9.52 45.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.63 -7.73 12.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.776 ' O ' HD13 ' A' ' 74' ' ' ILE . 32.0 m-70 -130.66 20.55 5.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -74.89 -42.1 58.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.13 57.0 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.862 ' O ' HG22 ' A' ' 74' ' ' ILE . 2.7 m-20 -127.51 155.22 77.15 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -31.91 5.8 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.502 1.79 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.9 OUTLIER -65.81 -37.95 87.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.862 HG22 ' O ' ' A' ' 71' ' ' ASP . 5.3 tp -45.85 -27.41 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 73' ' ' ASP . 63.5 m-20 -89.22 -37.36 15.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -49.93 145.45 9.13 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.1 Cg_endo -75.04 150.94 38.7 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 43.2 mt -69.38 -50.45 51.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 87.3 p -159.49 73.1 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.039 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 123.73 116.58 2.26 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -40.83 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 76.6 p -110.2 134.05 52.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.994 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.84 128.1 55.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.1 p -120.28 129.76 54.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.973 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.38 124.93 46.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.029 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.43 143.63 11.28 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.142 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.6 m -159.75 -60.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.982 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.0 p 43.67 82.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 110.04 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.43 177.73 34.96 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.49 1.118 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -146.66 174.1 26.64 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -97.05 -40.32 8.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.0 145.3 13.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.574 ' O ' HD12 ' A' ' 12' ' ' LEU . 12.6 tp -124.47 119.09 28.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.589 HD23 ' HD2' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -173.06 151.66 2.16 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.589 ' HD2' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -75.04 168.57 24.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.6 83.46 1.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.25 78.82 1.2 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.9 128.3 91.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 70.96 5.16 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.485 1.782 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -133.98 152.51 51.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -142.81 57.08 1.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.092 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.2 p -161.06 133.2 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.11 170.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.29 89.74 3.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.88 114.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -126.65 95.31 4.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -147.15 152.63 43.63 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.691 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.02 176.86 9.36 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.536 1.808 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.3 m -140.98 132.37 28.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.828 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -61.34 89.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.58 ' O ' HG23 ' A' ' 33' ' ' VAL . 13.4 t-20 -39.61 146.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -81.25 -24.77 37.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.243 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -79.2 -50.87 10.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.803 HD12 ' HB3' ' A' ' 55' ' ' ASN . 16.0 mt -62.24 -33.44 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.589 ' O ' HG23 ' A' ' 37' ' ' VAL . 55.4 t -77.57 -38.81 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -64.6 -32.87 74.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -74.34 -43.39 56.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.665 HD23 ' CE ' ' A' ' 39' ' ' MET . 17.1 mt -69.75 -57.44 5.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.655 HG22 ' HA ' ' A' ' 43' ' ' GLN . 77.8 t -45.64 -26.58 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -80.82 -42.1 22.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.962 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.665 ' CE ' HD23 ' A' ' 36' ' ' LEU . 12.3 mtt -53.06 -29.27 29.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.108 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.44 -5.53 7.15 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.491 1.12 . . . . 0.0 110.966 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 62' ' ' MET . 44.5 m-85 -68.69 175.9 3.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.427 ' OG ' ' ND1' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -96.27 121.85 38.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.017 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.655 ' HA ' HG22 ' A' ' 37' ' ' VAL . 61.7 tt0 -38.56 -60.69 0.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tp -40.33 -51.87 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.558 ' CD2' HG13 ' A' ' 74' ' ' ILE . 3.5 m170 -68.2 -49.86 58.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.576 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.437 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 79.2 m -46.44 -33.82 4.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.327 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.828 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 91.6 mt-30 -71.63 -59.95 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ALA . 26.7 mttt -49.78 -57.77 6.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.775 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -38.6 -71.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -44.2 -60.04 2.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.691 HG23 ' HG2' ' A' ' 26' ' ' PRO . 54.9 mt -46.73 -56.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.505 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 6.8 m-80 -49.1 -24.64 1.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.0 p -117.88 28.14 8.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 42.99 27.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.032 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.803 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 53.66 36.89 24.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.24 -41.89 65.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -171.54 157.13 27.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.138 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.78 ' HA ' HG23 ' A' ' 32' ' ' ILE . 37.7 t -53.32 -44.86 55.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.1 pt-20 -59.51 -43.1 93.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.3 mt-10 -61.76 -51.17 69.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.774 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.27 -57.19 10.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.844 ' HE2' HD11 ' A' ' 66' ' ' LEU . 3.2 ttp -55.25 -53.09 60.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -42.62 -46.27 4.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.64 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 70.0 t90 -61.1 -45.68 93.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.775 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -57.61 -41.27 80.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.844 HD11 ' HE2' ' A' ' 62' ' ' MET . 39.5 mt -64.84 -11.69 40.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.6 m -113.25 -16.97 12.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.014 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.714 ' O ' HD13 ' A' ' 74' ' ' ILE . 15.5 m-70 -124.46 29.77 6.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.602 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -75.4 -47.89 25.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -107.93 41.22 1.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.662 ' O ' HG22 ' A' ' 74' ' ' ILE . 3.2 m-20 -98.25 156.93 35.26 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -18.36 18.93 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 111.049 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 76' ' ' ALA . 2.2 m-20 -82.43 -36.24 26.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.714 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.5 tp -47.93 -36.46 5.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -81.48 -28.98 33.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -65.28 145.56 99.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.237 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 168.12 25.52 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.408 HD11 ' HB2' ' A' ' 47' ' ' GLN . 63.7 mt -84.58 -65.06 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.03 -0.79 9.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.4 ' HA2' ' HD3' ' A' ' 81' ' ' PRO . . . 120.44 135.56 4.95 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.4 ' HD3' ' HA2' ' A' ' 80' ' ' GLY . 18.4 Cg_endo -74.99 137.82 22.26 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.542 1.812 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.84 -59.5 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.8 p -91.45 171.48 9.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -135.21 -58.26 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 109.965 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -143.34 90.69 2.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.37 84.17 0.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.436 1.085 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.92 138.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.792 . . . . 0.0 109.973 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -106.87 -59.15 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.955 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.66 -158.23 21.82 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -148.09 117.32 0.88 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -79.35 -44.87 20.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 110.271 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -127.43 81.79 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.505 HD22 ' C ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -51.12 160.68 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.414 HD12 ' HD2' ' A' ' 13' ' ' PRO . 38.4 tp -73.97 114.1 29.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.414 ' HD2' HD12 ' A' ' 12' ' ' LEU . 18.3 Cg_endo -75.05 132.93 15.91 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.502 1.79 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -174.8 99.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -139.05 88.9 0.2 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.526 1.142 . . . . 0.0 111.007 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.6 p -173.99 128.84 0.48 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 117.23 4.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 110.969 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.98 73.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.441 ' C ' ' CG2' ' A' ' 20' ' ' VAL . 1.1 mt-10 -163.84 66.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.318 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.441 ' CG2' ' C ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER 39.88 80.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.64 156.22 46.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -69.66 168.81 14.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -107.33 79.01 1.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.018 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 23' ' ' SER . . . -179.51 70.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -147.6 152.83 42.44 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.913 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.02 179.54 6.0 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.473 1.775 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 29' ' ' ASN . 2.9 m -141.55 121.34 11.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.81 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -51.57 92.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 55' ' ' ASN . 17.2 t-20 -38.73 127.23 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.511 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 2.4 mt-10 -67.41 -26.12 66.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.25 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -47.16 27.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.854 HG23 ' HA ' ' A' ' 58' ' ' VAL . 19.7 mt -66.71 -39.41 83.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.408 HG13 ' HB2' ' A' ' 46' ' ' CYS . 53.2 t -71.36 -48.5 53.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -52.72 -31.62 38.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.639 ' OE1' HG21 ' A' ' 58' ' ' VAL . 52.1 mt-30 -75.7 -47.46 26.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.619 HD23 ' CE ' ' A' ' 39' ' ' MET . 19.0 mt -64.24 -53.43 49.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.632 HG22 ' HA ' ' A' ' 43' ' ' GLN . 77.2 t -51.1 -22.56 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.1 -38.58 12.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.003 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.619 ' CE ' HD23 ' A' ' 36' ' ' LEU . 11.4 mtm -56.9 -25.51 57.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.21 34.72 1.09 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.436 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 49.6 m-85 -112.97 178.83 4.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.431 ' OG ' ' ND1' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -96.24 118.98 33.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.027 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.632 ' HA ' HG22 ' A' ' 37' ' ' VAL . 55.1 tt0 -37.94 -59.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 tp -42.54 -54.64 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 3.4 m170 -64.14 -51.3 64.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.614 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 76.8 m -43.78 -40.04 4.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 108.299 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.81 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 36.4 mt-30 -67.32 -60.18 2.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -48.44 -56.1 9.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.364 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.803 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -43.21 -69.55 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -44.81 -60.2 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.913 HG23 ' HG2' ' A' ' 26' ' ' PRO . 61.1 mt -46.61 -56.56 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.499 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 5.6 m-80 -48.53 -26.31 2.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 50' ' ' ALA . 50.8 p -117.42 30.23 7.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.422 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER 38.08 36.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.977 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.758 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.2 OUTLIER 41.36 45.1 2.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 109.262 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.94 -32.46 74.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.62 148.56 9.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.459 1.1 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.854 ' HA ' HG23 ' A' ' 32' ' ' ILE . 55.3 t -47.42 -48.71 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.2 pt-20 -55.31 -44.74 76.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 6.6 mm-40 -57.84 -53.69 55.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.753 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -51.73 -59.1 4.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.859 ' HE2' HD11 ' A' ' 66' ' ' LEU . 2.2 ttp -52.95 -53.35 51.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -43.22 -47.07 6.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.652 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 73.8 t90 -60.29 -44.19 95.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 108.017 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.803 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -59.96 -42.51 94.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.859 HD11 ' HE2' ' A' ' 62' ' ' MET . 37.6 mt -64.05 -12.55 39.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.14 -6.94 11.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.773 ' O ' HD13 ' A' ' 74' ' ' ILE . 19.4 m-70 -131.59 26.72 4.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.618 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -80.53 -41.79 23.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -106.7 55.97 0.66 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.781 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -125.13 155.99 70.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -30.84 6.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.788 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.3 m-20 -65.94 -39.12 90.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.781 HG22 ' O ' ' A' ' 71' ' ' ASP . 4.3 tp -46.23 -26.12 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 73' ' ' ASP . 57.5 m-20 -91.14 -36.93 13.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -51.58 148.95 8.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.4 Cg_endo -74.98 158.67 42.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 0.0 110.998 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.6 mt -77.17 -50.7 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 97.1 p -104.52 95.98 6.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -152.92 160.87 29.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 164.25 33.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.472 1.775 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.6 p 52.52 174.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.2 m 53.25 100.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.9 p -76.29 96.81 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 t -173.78 155.02 2.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 110.038 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.34 98.35 0.19 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.0 p -123.63 166.46 15.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 0.739 . . . . 0.0 109.979 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 p -165.65 -57.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.64 142.16 37.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.14 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.444 ' O ' ' CB ' ' A' ' 9' ' ' GLU . . . -177.19 -140.71 3.74 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.444 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER 82.01 -51.49 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 0.758 . . . . 0.0 110.273 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.34 164.77 38.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.754 ' O ' HD12 ' A' ' 12' ' ' LEU . 6.2 tp -94.55 57.72 2.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER 57.41 113.03 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 58.43 4.86 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t0 174.64 -58.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 132.5 -82.39 0.31 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 16' ' ' VAL . 8.6 p -171.85 108.81 0.38 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.546 0.792 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 97.95 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.532 1.806 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -118.04 77.99 1.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -153.83 106.81 2.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.3 t -138.06 146.98 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.3 mtt -83.99 47.23 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.13 160.82 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.9 m -59.24 97.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.964 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' A' ' 25' ' ' GLN . . . -131.77 74.4 1.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.513 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 0.7 OUTLIER 87.12 147.13 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.692 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.02 176.37 10.01 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.524 1.802 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' ASN . 6.7 m -142.01 130.1 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.773 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -57.8 90.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.41 ' O ' HG23 ' A' ' 33' ' ' VAL . 17.3 t-20 -41.06 132.25 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.492 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 1.2 mt-10 -68.72 -26.26 65.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -53.72 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.9 HG23 ' HA ' ' A' ' 58' ' ' VAL . 15.7 mt -59.5 -37.41 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 37' ' ' VAL . 44.3 t -73.89 -48.33 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -56.54 -34.28 66.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -71.72 -44.84 63.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.675 HD11 ' HB3' ' A' ' 61' ' ' ALA . 8.3 mt -69.19 -54.39 15.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.567 HG22 ' HA ' ' A' ' 43' ' ' GLN . 78.5 t -48.65 -23.97 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -84.91 -41.37 16.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.974 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.44 ' CE ' HD23 ' A' ' 36' ' ' LEU . 11.5 mtm -53.89 -29.41 41.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.55 40.71 0.6 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.545 1.153 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.433 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 39.2 m-85 -114.16 -171.83 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.754 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -105.25 113.21 26.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.014 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.567 ' HA ' HG22 ' A' ' 37' ' ' VAL . 48.4 tt0 -35.56 -62.34 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' GLN . 5.2 tp -39.29 -47.8 1.75 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.565 ' CD2' HG13 ' A' ' 74' ' ' ILE . 6.8 m170 -72.12 -49.04 39.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.577 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.433 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 92.0 m -49.22 -28.84 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.258 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.773 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 34.1 mt-30 -76.04 -58.96 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.352 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -50.58 -54.16 24.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.853 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -43.04 -69.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -46.32 -62.81 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.692 HG23 ' HG2' ' A' ' 26' ' ' PRO . 51.5 mt -44.12 -50.53 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.514 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 4.2 m-80 -55.31 -37.45 67.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 50' ' ' ALA . 35.5 p -104.94 28.37 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.378 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.428 ' C ' ' CG ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER 40.13 35.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.015 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.781 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 46.22 41.96 9.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.493 ' HB3' ' CD ' ' A' ' 60' ' ' GLU . . . -58.46 -23.03 56.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 166.79 156.47 9.68 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.9 ' HA ' HG23 ' A' ' 32' ' ' ILE . 46.4 t -50.05 -42.55 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 0.793 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.1 pt-20 -63.56 -41.72 98.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.493 ' CD ' ' HB3' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -60.51 -53.54 56.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.853 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -51.51 -58.73 5.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.768 ' HE2' HD11 ' A' ' 66' ' ' LEU . 2.0 ttp -53.96 -52.79 59.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -42.81 -46.68 5.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.652 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 74.4 t90 -61.1 -45.51 94.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 107.972 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.762 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -57.29 -44.3 83.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.768 HD11 ' HE2' ' A' ' 62' ' ' MET . 32.3 mt -62.98 -12.94 29.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m -113.52 -10.31 13.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.801 ' O ' HD13 ' A' ' 74' ' ' ILE . 14.2 m-70 -132.86 33.6 3.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.619 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -85.01 -41.65 15.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 110.97 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -104.7 46.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.812 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -113.33 154.91 45.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -32.73 5.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.492 1.785 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 76' ' ' ALA . 4.2 m-20 -64.51 -37.53 87.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.812 HG22 ' O ' ' A' ' 71' ' ' ASP . 4.7 tp -45.81 -30.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -85.49 -37.31 19.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -53.6 144.44 33.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 157.65 42.79 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.549 1.815 . . . . 0.0 111.037 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.414 HD11 ' HB2' ' A' ' 47' ' ' GLN . 94.3 mt -75.94 -46.9 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.2 p -101.91 99.54 9.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.08 175.46 16.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.468 1.105 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 92.95 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 26.7 m -120.15 170.34 9.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.29 98.53 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.043 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 -179.952 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 t -162.27 147.84 12.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 109.963 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m 61.19 158.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.49 108.08 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.13 . . . . 0.0 111.029 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.2 m -111.05 82.9 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.2 p -178.78 115.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.95 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.94 88.53 0.1 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.44 138.09 4.98 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -120.96 -48.71 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -156.65 168.0 28.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.494 ' H ' HD12 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -99.43 57.1 1.03 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.589 HD12 ' O ' ' A' ' 13' ' ' PRO . 1.4 pp -57.66 155.52 21.02 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.589 ' O ' HD12 ' A' ' 12' ' ' LEU . 18.3 Cg_endo -75.0 178.82 6.75 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.535 1.808 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -49.38 112.86 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.06 -70.63 0.85 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.9 p -40.61 131.74 1.76 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 134.29 17.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.523 1.801 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -60.43 173.18 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -127.16 -144.57 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.5 t -107.71 144.53 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.2 170.78 11.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.75 154.07 18.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.539 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -135.83 164.79 27.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 23' ' ' SER . . . 73.55 61.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -157.57 150.97 18.84 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.784 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.04 177.9 7.99 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 29' ' ' ASN . 6.8 m -139.73 128.59 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.767 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -56.08 91.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.469 ' O ' HG23 ' A' ' 33' ' ' VAL . 19.1 t-20 -40.13 138.88 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 2.9 mt-10 -75.45 -20.75 58.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.348 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -53.15 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.823 HD12 ' HB3' ' A' ' 55' ' ' ASN . 3.9 mt -61.15 -32.99 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 29' ' ' ASN . 40.2 t -76.29 -47.1 31.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -58.26 -32.97 68.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -72.65 -42.33 64.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.596 HD11 ' CB ' ' A' ' 61' ' ' ALA . 18.7 mt -71.18 -56.24 6.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.636 HG22 ' HA ' ' A' ' 43' ' ' GLN . 84.7 t -48.97 -23.72 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -85.39 -39.07 18.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.005 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.492 ' CE ' ' CG1' ' A' ' 58' ' ' VAL . 14.8 mtm -58.45 -23.33 57.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.37 40.33 0.96 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.434 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 51.2 m-85 -117.19 173.55 6.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.419 ' HB2' ' CG ' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -88.8 118.9 28.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 110.003 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.636 ' HA ' HG22 ' A' ' 37' ' ' VAL . 42.1 tt0 -38.64 -61.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tp -40.34 -56.7 1.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 4.6 m170 -60.11 -53.2 60.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.597 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.566 ' HA ' HD11 ' A' ' 65' ' ' LEU . 73.9 m -44.13 -44.28 7.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.145 . . . . 0.0 108.292 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.767 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 35.2 mt-30 -62.05 -59.82 4.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -48.77 -58.84 4.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.856 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -41.9 -70.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.824 ' HB1' ' OD1' ' A' ' 55' ' ' ASN . . . -42.32 -60.17 1.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.784 HG23 ' HG2' ' A' ' 26' ' ' PRO . 67.2 mt -48.13 -56.2 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.402 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 5.3 m-80 -48.09 -32.63 7.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 49' ' ' ALA . 7.3 p -107.7 31.33 5.54 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.496 1.122 . . . . 0.0 110.394 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 51' ' ' ILE . 0.3 OUTLIER 38.79 30.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.038 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.824 ' OD1' ' HB1' ' A' ' 50' ' ' ALA . 14.8 m-80 47.98 44.4 18.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.37 -14.39 62.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 161.44 159.59 10.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.745 ' HA ' HG23 ' A' ' 32' ' ' ILE . 95.2 t -57.37 -47.71 84.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.774 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.48 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.5 pt-20 -53.63 -45.08 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.48 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -63.15 -51.48 66.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.337 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.794 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.13 -56.88 12.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.791 ' HE2' HD11 ' A' ' 66' ' ' LEU . 2.6 ttp -54.8 -53.25 57.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -42.7 -46.51 5.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.667 ' CZ2' ' CG ' ' A' ' 68' ' ' HIS . 74.5 t90 -60.62 -45.38 94.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 108.013 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.856 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 1.5 mt -57.66 -40.36 79.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.791 HD11 ' HE2' ' A' ' 62' ' ' MET . 27.2 mt -68.29 -8.93 43.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 t -113.56 -19.87 11.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.764 ' O ' HD13 ' A' ' 74' ' ' ILE . 35.5 m-70 -119.27 21.37 12.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.624 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -72.86 -45.67 57.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -105.32 53.58 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.657 ' O ' HG22 ' A' ' 74' ' ' ILE . 2.4 m-20 -122.68 154.5 63.5 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -27.27 10.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' ALA . 2.7 m-20 -68.71 -38.82 80.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.764 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.6 tp -45.48 -28.41 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -87.93 -38.07 15.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -49.14 144.03 8.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.3 Cg_endo -75.05 151.04 38.82 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.525 1.802 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.5 mt -69.83 -57.59 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.6 m -140.5 78.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.973 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.47 -174.82 52.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 169.86 21.7 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.782 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -124.1 99.19 6.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.005 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.4 117.38 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m 43.84 83.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 110.036 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 t 45.67 93.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.025 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.19 -138.4 9.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -150.07 157.91 43.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.951 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.28 -58.21 9.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.45 -113.74 3.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.71 -169.72 14.56 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -127.06 6.2 6.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 0.734 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -108.58 -8.76 15.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.9 mt 40.9 70.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.3 OUTLIER 62.23 125.82 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 12' ' ' LEU . 18.2 Cg_endo -75.03 -81.65 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.1 t70 63.74 73.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.74 74.77 0.95 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 16' ' ' VAL . 13.5 p -124.39 103.23 32.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 126.91 10.25 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.521 1.801 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -140.15 116.51 10.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -125.71 86.37 2.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 110.342 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.557 HG22 ' H ' ' A' ' 21' ' ' MET . 9.6 p -149.21 171.98 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.557 ' H ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -75.89 172.94 11.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -78.49 113.53 16.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER 165.36 77.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.518 ' O ' ' CB ' ' A' ' 25' ' ' GLN . . . -163.59 75.18 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.518 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER 88.28 153.6 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.703 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.03 177.26 8.83 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 16.0 m -140.38 131.91 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.823 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -59.67 89.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 28' ' ' ALA . 13.2 t-20 -39.96 146.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.548 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -81.51 -24.37 36.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -79.26 -52.14 8.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.837 HG23 ' HA ' ' A' ' 58' ' ' VAL . 9.5 mt -61.36 -34.61 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.655 ' O ' HG23 ' A' ' 37' ' ' VAL . 22.7 t -77.15 -39.26 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -63.3 -34.81 78.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.627 ' CD ' HG21 ' A' ' 58' ' ' VAL . 50.9 mt-30 -72.55 -45.98 56.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.473 HD11 ' HB3' ' A' ' 61' ' ' ALA . 9.0 mt -66.37 -55.16 17.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 33' ' ' VAL . 69.4 t -48.78 -24.17 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -83.27 -41.67 18.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.012 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.468 ' CE ' HD23 ' A' ' 36' ' ' LEU . 12.7 mtm -53.66 -28.8 35.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.12 39.92 0.78 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.423 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 31.3 m-85 -111.38 -171.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -105.36 115.32 30.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.972 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 44' ' ' LEU . 60.9 tt0 -37.5 -65.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 43' ' ' GLN . 7.1 tp -37.76 -41.87 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.567 ' CD2' HG13 ' A' ' 74' ' ' ILE . 11.7 m170 -77.79 -48.87 15.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.587 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.423 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 99.2 m -50.14 -29.32 8.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 108.302 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.823 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 91.3 mt-30 -74.31 -58.94 2.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' ALA . 23.7 mttt -50.73 -58.74 5.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 0.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.87 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -39.24 -71.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.97 -60.81 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.703 HG23 ' HG2' ' A' ' 26' ' ' PRO . 62.2 mt -46.37 -56.41 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.489 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 5.9 m-80 -48.74 -33.17 9.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.68 HG23 ' O ' ' A' ' 49' ' ' ALA . 7.6 p -106.82 28.18 8.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.432 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 42.29 28.57 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.634 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 51.5 35.49 14.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.251 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.589 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . . . -53.93 -38.62 65.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.91 158.12 26.76 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.556 1.16 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.837 ' HA ' HG23 ' A' ' 32' ' ' ILE . 53.6 t -54.92 -43.5 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 0.785 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 3.6 pt-20 -60.68 -43.38 97.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.589 ' OE1' ' HB3' ' A' ' 56' ' ' ALA . 0.3 OUTLIER -61.78 -51.66 67.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.794 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.52 -58.4 6.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.93 ' HE2' HD11 ' A' ' 66' ' ' LEU . 3.0 ttp -53.7 -53.44 52.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -42.81 -45.78 4.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.649 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 65.1 t90 -61.43 -45.6 93.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 107.979 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.87 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.6 OUTLIER -56.86 -43.71 81.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.93 HD11 ' HE2' ' A' ' 62' ' ' MET . 23.5 mt -65.73 -10.99 41.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -112.78 -12.0 13.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.773 ' O ' HD13 ' A' ' 74' ' ' ILE . 13.5 m-70 -131.62 30.68 4.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.635 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -81.43 -43.03 19.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -105.31 58.99 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.354 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.822 ' O ' HG22 ' A' ' 74' ' ' ILE . 2.2 m-20 -127.49 156.09 75.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -30.54 7.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.8 OUTLIER -66.76 -38.48 86.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.822 HG22 ' O ' ' A' ' 71' ' ' ASP . 4.5 tp -47.79 -31.97 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -84.26 -32.04 24.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -60.47 148.88 79.53 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.363 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 157.35 43.16 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.481 1.779 . . . . 0.0 111.047 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 21.9 mt -69.72 -8.77 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.07 62.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -153.49 -159.85 9.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 73.42 4.35 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.517 1.798 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 85.0 p -111.39 107.4 16.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.0 m -141.89 -56.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -46.07 117.15 1.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 110.006 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -130.35 -58.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.038 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.41 162.58 2.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.536 1.148 . . . . 0.0 111.04 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.8 m -150.54 -59.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.87 123.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.97 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.95 -171.1 14.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.52 159.35 25.98 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.93 -41.16 3.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 63.42 121.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.78 75.33 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.86 163.32 18.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 58.91 5.07 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -179.36 111.69 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.99 -82.12 0.51 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.5 p -108.72 101.55 44.16 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 87.64 1.29 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.497 1.788 . . . . 0.0 111.04 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -177.99 131.17 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -171.36 87.73 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.2 p -71.92 161.57 4.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.6 ptt? -82.74 127.58 33.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.954 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -164.18 74.88 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.14 169.29 1.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -156.3 74.14 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -154.5 155.74 30.96 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.94 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -75.01 177.8 8.11 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 4.5 m -140.78 124.71 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.794 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -55.88 89.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.466 ' OD1' ' CB ' ' A' ' 31' ' ' GLU . 21.9 t-20 -39.5 129.17 1.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -65.32 -28.69 69.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.466 ' CB ' ' OD1' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -74.01 -52.32 13.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.8 HG23 ' HA ' ' A' ' 58' ' ' VAL . 24.5 mt -58.84 -38.29 71.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.439 ' CG2' ' HA ' ' A' ' 47' ' ' GLN . 48.2 t -72.85 -50.92 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.45 -31.61 46.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -74.77 -43.69 53.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.553 HD23 ' HE1' ' A' ' 39' ' ' MET . 14.3 mt -69.23 -58.09 4.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.613 HG22 ' HA ' ' A' ' 43' ' ' GLN . 70.9 t -45.61 -26.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -82.37 -40.61 21.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.974 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.553 ' HE1' HD23 ' A' ' 36' ' ' LEU . 12.8 mtm -55.34 -26.9 43.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.92 38.91 0.93 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.558 1.161 . . . . 0.0 111.034 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.437 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 38.6 m-85 -113.48 -173.92 2.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.415 ' HB2' ' ND1' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -99.57 118.5 36.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 109.974 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.613 ' HA ' HG22 ' A' ' 37' ' ' VAL . 55.7 tt0 -38.54 -63.44 0.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' GLN . 8.1 tp -38.94 -57.66 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.173 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.516 ' CB ' HD21 ' A' ' 65' ' ' LEU . 4.1 m170 -61.65 -51.96 66.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.592 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.437 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 89.2 m -43.43 -45.48 6.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 108.316 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.794 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 78.5 mt-30 -60.09 -59.73 4.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.534 ' O ' ' C ' ' A' ' 49' ' ' ALA . 31.2 mttt -47.75 -62.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.785 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -30.31 -71.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 54' ' ' SER . . . -45.08 -52.32 9.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.94 HG23 ' HG2' ' A' ' 26' ' ' PRO . 49.7 mt -55.06 -46.92 77.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.637 ' OD1' ' CZ3' ' A' ' 64' ' ' TRP . 2.3 m120 -64.34 -12.11 38.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 56' ' ' ALA . 12.8 p -127.67 22.5 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.44 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER 42.78 35.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.782 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 53.15 42.36 32.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 53' ' ' THR . . . -82.65 48.93 1.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.13 153.11 28.6 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.8 ' HA ' HG23 ' A' ' 32' ' ' ILE . 89.3 t -61.94 -50.17 81.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.469 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.2 pt-20 -49.37 -44.41 44.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -60.98 -48.0 83.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.785 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -54.67 -55.79 26.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' LEU . 2.6 ttm -58.4 -51.82 68.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -43.49 -40.46 3.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.655 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 90.4 t90 -67.49 -46.02 74.15 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.582 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.8 OUTLIER -55.11 -45.5 75.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.9 mt -63.66 -12.42 33.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.42 -5.04 12.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.788 ' O ' HD13 ' A' ' 74' ' ' ILE . 12.5 m-70 -136.09 28.78 3.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.583 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -77.59 -45.35 25.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -103.49 58.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.869 ' O ' HG22 ' A' ' 74' ' ' ILE . 2.0 m-20 -126.69 156.18 73.86 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -31.19 6.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.793 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.7 m-20 -67.13 -40.91 86.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.869 HG22 ' O ' ' A' ' 71' ' ' ASP . 4.2 tp -48.24 -25.31 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 73' ' ' ASP . 0.4 OUTLIER -93.55 -31.84 14.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -53.11 148.47 14.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 148.48 35.28 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 67.5 mt -72.41 -49.73 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.36 81.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.933 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.83 158.78 14.08 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.459 1.1 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -58.07 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.79 . . . . 0.0 111.01 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.45 82.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.1 p -172.69 148.41 1.9 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.101 . . . . 0.0 110.975 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.2 p -129.08 137.63 51.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.786 . . . . 0.0 110.026 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 p -143.26 149.05 37.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.029 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.31 -82.85 0.08 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.55 94.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.34 133.67 52.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.971 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.5 -92.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 9' ' ' GLU . . . 108.54 -146.97 16.56 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 8' ' ' GLY . 10.1 pt-20 36.95 84.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -100.51 135.08 42.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tt -113.91 81.53 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.18 109.96 54.15 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 57.58 4.57 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.447 1.762 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -72.45 -53.64 11.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 39.06 76.92 0.07 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 13.6 p -51.11 129.82 30.75 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.777 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 16' ' ' VAL . 18.4 Cg_endo -75.01 55.88 4.09 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 56.01 165.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -143.27 65.15 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.2 t 64.31 144.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.2 ptt? -82.6 152.13 26.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -174.37 167.29 4.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.67 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 47.9 m -54.08 174.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.956 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 23' ' ' SER . . . 82.9 57.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.521 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 0.7 OUTLIER 87.96 152.06 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.976 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -74.99 -179.44 4.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.79 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.449 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 5.6 m -139.89 123.95 18.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.246 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.828 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -58.79 88.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.475 ' O ' HG23 ' A' ' 33' ' ' VAL . 18.4 t-20 -39.0 123.38 1.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 1.6 mt-10 -63.69 -28.34 69.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -42.17 67.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.864 HG23 ' HA ' ' A' ' 58' ' ' VAL . 38.0 mt -70.51 -38.81 75.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.593 HG13 ' HB2' ' A' ' 46' ' ' CYS . 96.4 t -72.92 -53.56 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -47.96 -28.52 2.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.582 ' NE2' HG21 ' A' ' 58' ' ' VAL . 45.6 mt-30 -79.39 -45.25 19.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.328 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.603 HD23 ' CE ' ' A' ' 39' ' ' MET . 16.8 mt -67.28 -53.05 33.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' A' ' 43' ' ' GLN . 86.9 t -50.9 -22.5 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.43 -38.9 14.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.603 ' CE ' HD23 ' A' ' 36' ' ' LEU . 13.0 mtm -58.27 -25.77 62.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.18 39.32 0.88 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 42.4 m-85 -115.7 177.45 4.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.777 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.443 ' HB2' ' CG ' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -93.94 117.78 30.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.497 ' HA ' HG22 ' A' ' 37' ' ' VAL . 64.8 tt0 -38.3 -63.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 43' ' ' GLN . 9.0 tp -39.43 -47.99 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.538 ' CB ' HD21 ' A' ' 65' ' ' LEU . 4.6 m170 -71.27 -49.37 43.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.575 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.593 ' HB2' HG13 ' A' ' 33' ' ' VAL . 73.8 m -46.47 -45.59 18.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 108.258 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.828 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 36.7 mt-30 -59.74 -57.45 12.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.524 ' O ' ' C ' ' A' ' 49' ' ' ALA . 30.3 mttt -49.36 -61.57 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.776 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -30.97 -71.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' SER . . . -45.47 -51.81 11.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.976 HG23 ' HG2' ' A' ' 26' ' ' PRO . 57.5 mt -54.83 -48.51 73.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.641 ' OD1' ' CZ3' ' A' ' 64' ' ' TRP . 2.2 m120 -62.6 -13.68 34.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 56' ' ' ALA . 62.1 p -126.47 23.73 6.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER 40.08 39.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.993 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.646 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 46.1 40.61 7.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.318 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 53' ' ' THR . . . -63.18 -29.15 70.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 171.73 145.29 4.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.135 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.864 ' HA ' HG23 ' A' ' 32' ' ' ILE . 46.7 t -44.9 -55.6 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 5.2 pt-20 -50.17 -43.49 52.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.457 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.2 mt-10 -60.77 -48.48 81.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.776 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.37 -56.15 19.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.15 . . . . 0.0 109.371 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.869 ' HE2' HD11 ' A' ' 66' ' ' LEU . 3.5 ttp -58.08 -53.73 54.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -43.15 -40.47 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.649 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 90.2 t90 -66.68 -47.11 73.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 108.011 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.593 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 0.8 OUTLIER -54.53 -43.6 72.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.869 HD11 ' HE2' ' A' ' 62' ' ' MET . 23.8 mt -64.56 -11.74 37.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.06 -3.37 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.028 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.82 ' O ' HD13 ' A' ' 74' ' ' ILE . 18.9 m-70 -135.93 25.5 3.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.594 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -76.44 -44.59 35.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -103.02 56.18 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.898 ' O ' HG22 ' A' ' 74' ' ' ILE . 2.3 m-20 -123.21 155.83 64.17 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -32.21 5.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.4 OUTLIER -66.95 -40.46 87.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.898 HG22 ' O ' ' A' ' 71' ' ' ASP . 3.7 tp -48.18 -26.81 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -91.7 -31.52 15.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -55.61 148.23 36.18 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.84 37.19 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.506 1.793 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.6 mt -74.49 -50.02 28.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 95.8 p -129.5 87.31 2.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 55.48 171.78 0.1 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.137 . . . . 0.0 111.043 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 63.33 6.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.5 m 61.86 116.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.974 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.8 p -61.71 -57.88 10.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.817 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -41.09 139.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 4.6 mp0 -75.93 -24.81 55.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -46.8 19.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.802 HD12 ' HB3' ' A' ' 55' ' ' ASN . 9.2 mt -67.28 -36.16 75.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 37' ' ' VAL . 16.8 t -74.7 -50.89 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -53.76 -30.8 46.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.514 ' CD ' HG21 ' A' ' 58' ' ' VAL . 36.2 mt-30 -75.59 -46.46 31.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.484 HD11 ' CB ' ' A' ' 61' ' ' ALA . 12.1 mt -66.92 -49.51 65.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.67 HG22 ' HA ' ' A' ' 43' ' ' GLN . 83.9 t -55.03 -19.7 4.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.128 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.65 -40.33 11.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.968 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.427 ' CE ' ' CG1' ' A' ' 58' ' ' VAL . 12.9 mtm -55.65 -27.47 50.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.83 39.21 0.66 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.438 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 50.6 m-85 -117.43 177.3 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 111.006 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -94.12 118.82 32.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.67 ' HA ' HG22 ' A' ' 37' ' ' VAL . 51.0 tt0 -38.58 -58.53 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 tp -40.34 -56.21 2.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.576 ' CD2' HG13 ' A' ' 74' ' ' ILE . 6.3 m170 -64.5 -50.5 67.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.58 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.438 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 73.3 m -45.64 -35.75 4.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 108.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.817 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 86.4 mt-30 -70.72 -59.81 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' ALA . 26.7 mttt -49.86 -58.37 5.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.801 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -39.28 -70.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -44.06 -59.83 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.431 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 55.2 mt -46.86 -55.15 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.4 ' OD1' ' NE1' ' A' ' 64' ' ' TRP . 3.9 m-80 -48.78 -31.38 6.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 49' ' ' ALA . 18.4 p -110.23 26.09 11.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 44.24 28.57 0.29 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.962 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.802 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 54.77 37.89 29.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' THR . . . -55.45 -39.58 70.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.65 150.26 10.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.794 ' HA ' HG23 ' A' ' 32' ' ' ILE . 71.9 t -47.54 -41.58 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.447 0.734 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 6.4 pt-20 -61.58 -45.24 94.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.5 mt-10 -61.31 -50.31 73.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.79 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.95 -57.37 10.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.876 ' HE2' HD11 ' A' ' 66' ' ' LEU . 3.0 ttp -55.31 -52.83 62.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -43.16 -45.51 5.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.653 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 76.8 t90 -61.77 -45.54 93.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 107.996 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.801 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -56.88 -44.11 81.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.876 HD11 ' HE2' ' A' ' 62' ' ' MET . 26.0 mt -64.69 -11.98 41.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.11 -3.34 12.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.027 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.778 ' O ' HD13 ' A' ' 74' ' ' ILE . 23.8 m-70 -134.16 22.64 3.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.595 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -77.47 -40.1 44.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -106.82 59.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.765 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.8 m-20 -131.21 155.56 81.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -31.73 5.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.1 m-20 -64.64 -39.59 93.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.778 HD13 ' O ' ' A' ' 68' ' ' HIS . 4.0 tp -46.52 -25.69 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.416 ' N ' ' C ' ' A' ' 73' ' ' ASP . 59.1 m-20 -91.63 -36.64 13.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -52.52 147.21 15.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.2 Cg_endo -75.04 152.35 40.49 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.783 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.7 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.772 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 31' ' ' GLU . 16.8 t-20 -40.21 131.24 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.486 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 2.1 mt-10 -69.86 -26.47 64.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.435 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -77.01 -46.26 24.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.749 HG23 ' HA ' ' A' ' 58' ' ' VAL . 8.4 mt -68.83 -36.75 75.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 37' ' ' VAL . 38.2 t -73.33 -47.73 45.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -55.1 -35.89 65.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.811 ' OE1' HG21 ' A' ' 58' ' ' VAL . 43.4 mt-30 -70.65 -50.08 40.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.57 HD11 ' CB ' ' A' ' 61' ' ' ALA . 19.3 mt -61.4 -52.65 63.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.628 HG22 ' HA ' ' A' ' 43' ' ' GLN . 83.1 t -53.53 -20.81 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.86 -40.77 12.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.967 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.571 ' CE ' ' CG1' ' A' ' 58' ' ' VAL . 12.0 mtm -56.59 -27.27 57.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.004 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.96 41.8 0.58 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.469 1.105 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.436 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 54.4 m-85 -119.22 172.79 7.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.409 ' HB2' ' ND1' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -88.97 117.45 28.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.971 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.628 ' HA ' HG22 ' A' ' 37' ' ' VAL . 53.1 tt0 -38.28 -60.88 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 tp -39.94 -54.96 2.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.556 ' CD2' HG13 ' A' ' 74' ' ' ILE . 3.8 m170 -63.68 -51.38 65.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.608 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 73.6 m -44.65 -37.77 3.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 108.278 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.772 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 93.3 mt-30 -68.26 -60.15 2.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -49.75 -54.49 18.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.808 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -44.6 -69.75 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -45.25 -61.27 1.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 54' ' ' SER . 58.6 mt -45.72 -57.53 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -46.83 -33.62 4.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 49' ' ' ALA . 27.0 p -109.42 33.02 4.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' ILE . 0.3 OUTLIER 37.33 35.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 109.975 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.694 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.1 OUTLIER 41.67 44.39 2.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.536 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . . . -65.6 -16.75 64.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 166.59 161.22 15.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.811 HG21 ' OE1' ' A' ' 35' ' ' GLN . 93.8 t -60.43 -42.67 91.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 3.7 pt-20 -59.55 -43.07 93.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.536 ' OE1' ' HB3' ' A' ' 56' ' ' ALA . 0.2 OUTLIER -63.37 -52.29 62.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.78 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.43 -57.32 10.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.877 ' HE2' HD11 ' A' ' 66' ' ' LEU . 2.4 ttp -54.52 -53.18 57.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -42.78 -46.71 5.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.654 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 75.7 t90 -60.52 -45.7 92.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 108.028 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.808 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -57.36 -43.78 83.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.877 HD11 ' HE2' ' A' ' 62' ' ' MET . 30.6 mt -63.85 -12.52 36.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.12 -6.82 12.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.759 ' O ' HD13 ' A' ' 74' ' ' ILE . 21.2 m-70 -132.4 26.93 4.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.621 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -80.12 -45.67 17.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -102.71 57.1 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.683 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -127.37 155.53 76.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -31.6 5.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.4 m-20 -63.76 -39.3 93.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.759 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.6 tp -45.29 -29.23 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -88.85 -36.89 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -50.27 147.75 7.1 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.1 Cg_endo -75.02 155.06 42.79 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 41.0 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.773 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 31' ' ' GLU . 19.3 t-20 -42.03 132.16 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.96 -26.36 63.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.431 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -76.47 -47.03 24.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.802 HG23 ' HA ' ' A' ' 58' ' ' VAL . 18.0 mt -67.21 -34.73 71.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.2 t -74.17 -51.28 24.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.28 -33.02 40.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.516 ' NE2' HG21 ' A' ' 58' ' ' VAL . 35.5 mt-30 -73.43 -47.57 40.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.505 HD23 ' CE ' ' A' ' 39' ' ' MET . 13.3 mt -65.58 -51.41 59.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.595 HG22 ' HA ' ' A' ' 43' ' ' GLN . 71.6 t -52.83 -21.44 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.9 -39.72 12.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.505 ' CE ' HD23 ' A' ' 36' ' ' LEU . 12.2 mtm -55.56 -27.66 50.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 110.999 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.31 36.66 0.85 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 44.8 m-85 -114.32 177.52 4.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.414 ' HB2' ' ND1' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -94.09 118.5 31.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.001 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.595 ' HA ' HG22 ' A' ' 37' ' ' VAL . 56.7 tt0 -39.02 -60.57 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' GLN . 5.8 tp -40.11 -50.54 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 3.7 m170 -69.74 -48.92 57.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.561 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.441 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 71.9 m -47.38 -32.13 4.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 108.26 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.773 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 94.5 mt-30 -74.05 -59.83 2.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -49.38 -58.05 5.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.863 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -40.13 -71.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.99 -60.19 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.429 HG12 ' N ' ' A' ' 28' ' ' ALA . 52.5 mt -46.47 -56.92 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.42 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 4.7 m-80 -48.81 -32.94 9.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.677 HG23 ' O ' ' A' ' 49' ' ' ALA . 7.2 p -107.49 27.74 8.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.349 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.42 ' C ' ' CG ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER 40.67 35.46 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.974 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.706 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 45.14 36.47 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.36 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.78 -31.99 63.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.63 159.34 23.4 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.802 ' HA ' HG23 ' A' ' 32' ' ' ILE . 53.4 t -57.63 -42.08 80.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 5.9 pt-20 -61.7 -44.23 97.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 2.3 mt-10 -61.73 -50.94 70.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.775 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.05 -58.05 8.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.871 ' HE2' HD11 ' A' ' 66' ' ' LEU . 3.4 ttp -53.98 -53.53 51.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -42.56 -46.7 4.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.69 ' CZ2' ' CG ' ' A' ' 68' ' ' HIS . 72.0 t90 -60.47 -45.85 92.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 108.004 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.863 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -57.47 -40.97 79.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.871 HD11 ' HE2' ' A' ' 62' ' ' MET . 33.5 mt -67.04 -10.34 48.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.4 t -112.33 -19.15 12.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.768 ' O ' HD13 ' A' ' 74' ' ' ILE . 35.3 m-70 -118.18 20.67 13.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.593 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -70.75 -49.56 45.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.2 p30 -102.82 54.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.738 ' O ' HG22 ' A' ' 74' ' ' ILE . 3.1 m-20 -123.97 156.11 66.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -31.24 6.42 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 76' ' ' ALA . 4.1 m-20 -64.53 -38.94 92.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.768 HD13 ' O ' ' A' ' 68' ' ' HIS . 4.0 tp -45.85 -27.96 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -90.99 -35.8 14.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -50.05 146.25 8.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.3 Cg_endo -75.01 153.76 41.95 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.497 1.788 . . . . 0.0 110.95 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 51.7 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.821 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' ALA . 16.8 t-20 -40.07 131.51 1.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -68.64 -27.52 66.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.401 ' CB ' ' OD1' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -75.44 -51.92 11.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.841 HG23 ' HA ' ' A' ' 58' ' ' VAL . 19.7 mt -60.26 -38.75 78.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.593 ' O ' HG23 ' A' ' 37' ' ' VAL . 27.5 t -72.55 -44.52 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.457 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -59.14 -30.01 67.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -77.25 -45.19 27.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.514 HD11 ' CB ' ' A' ' 61' ' ' ALA . 14.2 mt -67.78 -47.78 68.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 33' ' ' VAL . 83.8 t -57.12 -18.13 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.35 -38.57 11.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.99 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.432 ' CE ' ' CG1' ' A' ' 58' ' ' VAL . 13.0 mtm -58.95 -25.82 63.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.86 41.45 0.66 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.445 1.09 . . . . 0.0 110.977 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.443 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 54.7 m-85 -119.5 174.13 6.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.411 ' OG ' ' ND1' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -91.01 118.21 30.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.001 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.581 ' HA ' HG22 ' A' ' 37' ' ' VAL . 56.9 tt0 -39.12 -60.85 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' GLN . 5.1 tp -40.04 -52.75 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 3.6 m170 -66.8 -50.3 63.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.618 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.443 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 75.4 m -45.26 -36.35 3.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 108.353 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.821 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 87.5 mt-30 -69.1 -60.15 2.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 49' ' ' ALA . 24.6 mttt -48.92 -58.75 4.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.782 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -38.77 -71.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -43.48 -60.06 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 57.9 mt -46.76 -57.59 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.426 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 6.8 m-80 -49.09 -24.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' ALA . 41.3 p -117.18 30.88 7.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.406 ' C ' ' CG ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER 39.87 32.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.614 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 47.07 38.99 7.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.54 -41.64 77.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.52 149.51 11.13 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.841 ' HA ' HG23 ' A' ' 32' ' ' ILE . 57.9 t -46.13 -47.38 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.2 pt-20 -55.4 -44.32 76.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.6 mt-10 -61.94 -51.17 69.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.759 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.67 -57.89 8.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.863 ' HE2' HD11 ' A' ' 66' ' ' LEU . 2.8 ttp -53.95 -53.49 52.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -43.07 -46.6 5.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.652 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 73.6 t90 -60.64 -44.96 95.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 107.997 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.782 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -58.46 -42.71 88.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.353 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.863 HD11 ' HE2' ' A' ' 62' ' ' MET . 36.5 mt -63.98 -12.42 37.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.27 -8.93 12.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.771 ' O ' HD13 ' A' ' 74' ' ' ILE . 14.7 m-70 -131.46 29.3 4.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.624 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -81.7 -45.42 15.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -102.72 57.14 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.765 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.0 OUTLIER -126.19 155.67 73.38 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -31.61 6.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.436 1.756 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.2 OUTLIER -64.92 -37.86 89.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.771 HD13 ' O ' ' A' ' 68' ' ' HIS . 4.0 tp -47.51 -25.11 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 73' ' ' ASP . 0.1 OUTLIER -91.33 -35.48 14.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -54.13 147.18 27.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.4 Cg_endo -75.0 154.62 42.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.802 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 21.1 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.757 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.575 ' O ' HG23 ' A' ' 33' ' ' VAL . 15.8 t-20 -41.62 135.81 2.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 4.8 mt-10 -70.26 -27.65 64.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -51.52 11.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.785 HD12 ' HB3' ' A' ' 55' ' ' ASN . 17.3 mt -61.47 -38.79 80.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.647 ' O ' HG23 ' A' ' 37' ' ' VAL . 56.8 t -71.72 -43.73 69.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -60.71 -32.51 71.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -74.36 -44.54 51.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.545 HD11 ' CB ' ' A' ' 61' ' ' ALA . 14.5 mt -69.39 -49.98 50.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 33' ' ' VAL . 81.8 t -54.77 -19.93 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.25 -39.97 11.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.469 ' CE ' HD23 ' A' ' 36' ' ' LEU . 12.2 mtm -54.44 -27.04 34.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.38 37.61 0.84 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.434 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 42.1 m-85 -113.89 -174.15 2.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.766 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -103.04 118.04 35.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.617 ' HA ' HG22 ' A' ' 37' ' ' VAL . 50.2 tt0 -38.18 -60.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.266 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 tp -39.98 -52.01 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.599 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 3.8 m170 -68.98 -49.32 58.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.613 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.434 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 73.7 m -47.19 -30.99 3.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 108.288 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.757 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 32.2 mt-30 -75.34 -59.7 2.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.455 ' CG ' HG12 ' A' ' 78' ' ' ILE . 25.7 mttt -49.56 -55.2 14.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.853 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -43.95 -70.23 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -44.54 -60.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.431 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 56.3 mt -46.24 -55.3 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.46 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 5.1 m-80 -48.37 -33.23 8.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 49' ' ' ALA . 17.8 p -108.02 27.55 9.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.387 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.87 28.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.785 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 53.04 35.67 20.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.601 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . . . -52.96 -43.23 66.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.71 155.58 25.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.143 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.737 ' HA ' HG23 ' A' ' 32' ' ' ILE . 40.2 t -53.09 -40.68 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 3.9 pt-20 -63.0 -43.24 99.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.601 ' OE1' ' HB3' ' A' ' 56' ' ' ALA . 0.3 OUTLIER -61.78 -51.47 68.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.794 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.41 -58.26 7.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.872 ' HE2' HD11 ' A' ' 66' ' ' LEU . 2.9 ttp -54.0 -53.24 55.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -43.61 -45.4 6.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.652 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 67.4 t90 -61.69 -44.39 97.04 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.853 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -58.56 -43.62 89.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.872 HD11 ' HE2' ' A' ' 62' ' ' MET . 26.1 mt -65.27 -11.52 42.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.01 -11.89 13.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 110.003 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.77 ' O ' HD13 ' A' ' 74' ' ' ILE . 15.1 m-70 -130.05 29.37 4.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.596 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -79.69 -45.3 19.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -103.43 63.45 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.791 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.5 OUTLIER -132.85 156.11 80.44 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -30.71 6.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.5 OUTLIER -66.14 -39.18 89.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.791 HG22 ' O ' ' A' ' 71' ' ' ASP . 4.1 tp -47.58 -25.65 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.4 -34.21 14.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -55.73 145.68 50.2 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 152.18 40.3 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.48 1.779 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.455 HG12 ' CG ' ' A' ' 48' ' ' LYS . 92.9 mt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.846 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.471 ' O ' HG23 ' A' ' 33' ' ' VAL . 16.5 t-20 -39.6 128.14 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -25.13 63.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' CB ' ' OD1' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -76.45 -42.83 42.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.817 HG23 ' HA ' ' A' ' 58' ' ' VAL . 13.6 mt -71.83 -34.55 51.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 37' ' ' VAL . 44.0 t -74.57 -51.92 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.1 -35.12 46.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.539 ' OE1' HG21 ' A' ' 58' ' ' VAL . 42.5 mt-30 -71.23 -48.98 48.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.324 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.66 HD11 ' CB ' ' A' ' 61' ' ' ALA . 10.0 mt -63.83 -57.32 10.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.635 HG22 ' HA ' ' A' ' 43' ' ' GLN . 90.8 t -46.07 -26.13 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -82.99 -42.08 17.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.03 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.458 ' CE ' ' CG1' ' A' ' 58' ' ' VAL . 11.7 mtm -54.89 -29.42 55.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.74 41.23 0.5 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.433 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 52.6 m-85 -118.46 175.26 5.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 0.764 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.476 ' HB2' ' CG ' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -91.99 118.03 30.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.635 ' HA ' HG22 ' A' ' 37' ' ' VAL . 58.9 tt0 -38.42 -62.49 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 tp -40.75 -51.07 3.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 7.2 m170 -65.15 -52.35 55.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.556 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.624 ' HA ' HD11 ' A' ' 65' ' ' LEU . 73.4 m -45.87 -40.85 10.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 108.342 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.846 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 94.5 mt-30 -63.45 -59.23 4.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.408 ' CG ' HG12 ' A' ' 78' ' ' ILE . 28.3 mttt -50.82 -58.52 5.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.826 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -40.17 -71.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -43.1 -59.02 2.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.8 mt -47.66 -58.41 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.56 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 11.2 m-80 -49.53 -23.7 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 49' ' ' ALA . 31.9 p -117.56 30.0 7.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER 37.53 36.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.017 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.737 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.1 OUTLIER 42.21 44.04 3.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.37 -35.13 76.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.36 153.02 12.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.817 ' HA ' HG23 ' A' ' 32' ' ' ILE . 75.8 t -50.81 -42.19 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.5 pt-20 -60.13 -45.17 93.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.478 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.1 mt-10 -60.9 -48.94 79.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.826 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.39 -56.02 20.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.3 ttm -57.51 -51.19 70.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -46.38 -38.85 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.651 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 53.7 t90 -70.01 -38.82 76.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 107.994 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.822 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 1.2 mt -65.21 -40.93 94.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.5 mt -68.81 -9.2 49.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 t -113.43 -18.4 12.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.056 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.865 ' O ' HD13 ' A' ' 74' ' ' ILE . 26.8 m-70 -119.61 19.1 12.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.599 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -70.93 -45.32 64.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -104.29 60.36 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.785 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -132.3 155.42 81.3 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -31.34 6.28 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.5 m-20 -64.12 -38.99 93.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.865 HD13 ' O ' ' A' ' 68' ' ' HIS . 4.4 tp -45.3 -29.17 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.12 -36.25 14.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -48.94 147.09 4.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.4 Cg_endo -75.0 154.96 42.87 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.449 1.763 . . . . 0.0 111.036 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.408 HG12 ' CG ' ' A' ' 48' ' ' LYS . 73.5 mt . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.814 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.67 ' O ' HG23 ' A' ' 33' ' ' VAL . 14.6 t-20 -42.45 132.54 3.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -69.05 -27.93 66.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.263 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -51.95 12.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.72 HD12 ' CB ' ' A' ' 55' ' ' ASN . 24.5 mt -60.14 -40.66 84.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 29' ' ' ASN . 88.9 t -70.41 -45.26 75.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -58.05 -32.88 68.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -74.02 -47.23 38.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.705 HD11 ' CB ' ' A' ' 61' ' ' ALA . 14.2 mt -65.22 -55.55 17.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.621 HG22 ' HA ' ' A' ' 43' ' ' GLN . 78.6 t -48.49 -24.41 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -84.74 -41.9 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.031 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.445 ' HE1' HD23 ' A' ' 36' ' ' LEU . 11.1 mtm -55.02 -29.51 57.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.76 40.86 0.55 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.434 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 52.5 m-85 -118.01 174.35 6.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.419 ' HB2' ' ND1' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -89.84 117.28 28.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.621 ' HA ' HG22 ' A' ' 37' ' ' VAL . 54.7 tt0 -38.59 -61.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 tp -40.42 -54.79 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 4.1 m170 -63.07 -52.05 64.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.62 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.49 ' HA ' HD11 ' A' ' 65' ' ' LEU . 71.4 m -44.46 -41.05 6.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 108.268 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.814 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 87.3 mt-30 -63.52 -59.88 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HE2' ' CG1' ' A' ' 78' ' ' ILE . 17.4 mttm -49.86 -59.05 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.827 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -38.88 -71.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -42.97 -60.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.436 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 58.0 mt -47.09 -56.96 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.568 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 8.1 m-80 -49.38 -25.69 2.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.1 p -115.55 28.88 8.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.378 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.426 ' C ' ' CG ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER 40.77 33.48 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.007 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.72 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 47.15 37.23 5.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.69 -41.56 67.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.43 160.44 33.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.717 ' HA ' HG23 ' A' ' 32' ' ' ILE . 29.0 t -57.47 -44.49 84.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.451 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.2 pt-20 -59.91 -42.96 95.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.451 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.8 mt-10 -61.25 -48.52 81.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.827 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.06 -55.57 22.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.4 ttm -57.96 -51.69 68.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -44.93 -40.12 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.657 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 65.4 t90 -67.77 -41.97 82.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 108.003 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.753 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 1.1 mt -61.52 -43.77 98.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.9 mt -65.36 -11.31 40.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -112.98 -12.81 13.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.029 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.778 ' O ' HD13 ' A' ' 74' ' ' ILE . 12.5 m-70 -130.03 30.54 4.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.57 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -82.23 -42.35 19.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.956 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -104.85 59.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.702 ' O ' HG22 ' A' ' 74' ' ' ILE . 3.0 m-20 -129.47 155.33 80.33 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -31.42 6.29 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.486 1.782 . . . . 0.0 111.004 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.1 m-20 -64.24 -39.41 93.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.778 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.7 tp -45.94 -27.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 73' ' ' ASP . 27.2 m-20 -90.18 -37.11 14.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -50.31 146.97 8.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.2 Cg_endo -75.03 150.38 37.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.416 ' CG1' ' HE2' ' A' ' 48' ' ' LYS . 27.8 mt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.79 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -42.05 126.47 3.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.53 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 7.2 mt-10 -66.49 -24.23 66.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.339 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.77 -47.63 18.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.253 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.809 HG23 ' HA ' ' A' ' 58' ' ' VAL . 17.0 mt -66.41 -39.51 84.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.6 t -71.28 -50.13 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -51.91 -31.34 28.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.426 ' NE2' HG21 ' A' ' 58' ' ' VAL . 34.9 mt-30 -75.97 -46.81 27.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.574 HD23 ' HE1' ' A' ' 39' ' ' MET . 8.3 mt -65.69 -55.54 16.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' A' ' 43' ' ' GLN . 74.1 t -48.6 -24.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -85.17 -40.85 16.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.574 ' HE1' HD23 ' A' ' 36' ' ' LEU . 11.3 mtm -55.78 -28.58 56.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.996 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.3 41.46 0.58 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.092 . . . . 0.0 111.034 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.431 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 50.0 m-85 -117.92 172.87 7.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.478 ' HB2' ' CG ' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -89.9 115.31 27.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.984 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.493 ' HA ' HG22 ' A' ' 37' ' ' VAL . 49.7 tt0 -39.04 -63.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' GLN . 6.3 tp -39.24 -42.07 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.586 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 8.2 m170 -75.97 -49.44 17.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.616 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.655 ' HA ' HD11 ' A' ' 65' ' ' LEU . 97.2 m -48.81 -40.7 30.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 108.309 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.79 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 35.5 mt-30 -62.81 -57.5 10.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -52.89 -58.14 7.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.85 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -40.19 -72.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -43.29 -61.99 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.446 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 59.2 mt -45.08 -57.29 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.523 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 3.2 m-80 -49.01 -31.53 7.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' ALA . 3.1 p -107.9 26.62 10.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.84 27.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.753 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 53.21 34.24 17.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.72 -45.02 48.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.09 152.24 18.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.428 1.08 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.809 ' HA ' HG23 ' A' ' 32' ' ' ILE . 57.5 t -48.12 -45.66 12.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.477 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.8 pt-20 -57.94 -45.0 87.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.477 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -61.71 -48.47 80.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.85 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.04 -54.83 29.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.138 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.5 ttm -58.83 -50.82 72.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -45.97 -39.07 8.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.655 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 52.7 t90 -68.44 -41.07 80.83 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.846 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 1.2 mt -62.64 -43.67 98.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.3 mt -67.58 -9.82 46.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.86 -5.66 12.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.824 ' O ' HD13 ' A' ' 74' ' ' ILE . 22.6 m-70 -132.47 20.09 4.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.624 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -75.05 -40.74 60.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.973 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -104.55 60.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.833 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -132.81 154.71 81.54 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.3 4.71 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.802 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 76' ' ' ALA . 2.7 m-20 -63.97 -38.32 90.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.833 HG22 ' O ' ' A' ' 71' ' ' ASP . 4.5 tp -46.12 -27.73 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.28 -36.77 15.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -49.91 145.05 9.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.2 Cg_endo -75.0 153.7 41.94 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.452 1.764 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 26.1 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.825 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 28' ' ' ALA . 13.9 t-20 -39.07 130.13 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -69.94 -25.42 63.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.81 -47.24 26.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.802 HG23 ' HA ' ' A' ' 58' ' ' VAL . 17.3 mt -66.73 -38.37 81.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.558 ' O ' HG23 ' A' ' 37' ' ' VAL . 25.0 t -71.45 -46.33 64.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -58.55 -27.58 64.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.477 ' NE2' HG21 ' A' ' 58' ' ' VAL . 30.2 mt-30 -79.49 -43.84 22.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.619 HD11 ' CB ' ' A' ' 61' ' ' ALA . 16.3 mt -69.49 -48.25 61.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.623 HG22 ' HA ' ' A' ' 43' ' ' GLN . 81.4 t -55.01 -20.93 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.46 -39.85 11.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.979 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.446 ' CE ' ' CG1' ' A' ' 58' ' ' VAL . 11.7 mtm -56.45 -26.86 55.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.44 37.64 0.78 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 53.6 m-85 -115.97 174.79 5.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.416 ' HB2' ' ND1' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -92.31 117.99 30.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.993 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.623 ' HA ' HG22 ' A' ' 37' ' ' VAL . 55.5 tt0 -38.06 -60.66 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tp -41.31 -52.74 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 7.5 m170 -65.78 -51.06 62.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.622 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.441 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 79.2 m -44.36 -37.44 3.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.825 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 83.9 mt-30 -68.59 -59.82 2.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.46 ' HE2' ' CG1' ' A' ' 78' ' ' ILE . 19.7 mttt -49.33 -55.36 13.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.815 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -43.1 -69.09 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -45.27 -60.4 2.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 58.4 mt -46.52 -57.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.557 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 7.0 m-80 -48.1 -25.04 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 49' ' ' ALA . 12.3 p -119.33 32.44 6.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER 36.99 34.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.984 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.742 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.2 OUTLIER 41.77 44.74 2.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.468 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . . . -64.27 -28.98 70.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.17 148.59 7.81 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.802 ' HA ' HG23 ' A' ' 32' ' ' ILE . 92.8 t -48.11 -43.81 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.425 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 3.2 pt-20 -58.24 -41.74 84.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.468 ' OE1' ' HB3' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -63.36 -50.18 70.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.815 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.27 -55.36 25.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.459 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.4 ttm -57.8 -51.84 67.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -45.22 -40.68 7.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.088 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.65 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 74.8 t90 -67.3 -41.4 85.45 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.682 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -63.54 -41.81 98.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.5 mt -64.96 -11.61 40.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.0 m -116.63 -9.66 11.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.809 ' O ' HD13 ' A' ' 74' ' ' ILE . 11.0 m-70 -130.26 27.7 5.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.581 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -76.5 -42.31 43.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -112.06 59.69 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.637 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -122.12 156.17 60.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.405 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 18.3 Cg_endo -75.01 -14.69 21.05 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.461 1.769 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 76' ' ' ALA . 4.1 m-20 -83.86 -39.08 20.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.809 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.9 tp -46.17 -30.02 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 72' ' ' PRO . 2.3 p30 -89.17 -34.38 16.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -53.5 146.95 22.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.2 Cg_endo -74.99 153.74 42.02 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.464 1.771 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.46 ' CG1' ' HE2' ' A' ' 48' ' ' LYS . 38.8 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.842 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.472 ' O ' HG23 ' A' ' 33' ' ' VAL . 18.2 t-20 -40.59 139.83 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 4.3 mp0 -76.05 -24.8 55.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.32 -49.16 14.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.802 HD12 ' HB3' ' A' ' 55' ' ' ASN . 12.3 mt -63.86 -36.78 77.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.518 ' O ' HG23 ' A' ' 37' ' ' VAL . 46.6 t -74.31 -53.25 17.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -51.52 -29.18 15.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -77.35 -45.79 24.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.487 HD11 ' HB3' ' A' ' 61' ' ' ALA . 12.2 mt -68.19 -45.38 73.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.641 HG22 ' HA ' ' A' ' 43' ' ' GLN . 96.1 t -58.48 -17.52 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.67 -41.42 11.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.48 ' HE1' HD23 ' A' ' 36' ' ' LEU . 21.3 mtm -57.25 -14.76 4.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.0 31.55 4.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.436 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 5.4 m-85 -102.91 -175.17 2.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.444 ' HB2' ' CG ' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -102.93 117.09 33.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.641 ' HA ' HG22 ' A' ' 37' ' ' VAL . 46.6 tt0 -38.04 -61.07 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.0 tp -40.62 -55.63 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.558 ' CD2' HG13 ' A' ' 74' ' ' ILE . 3.3 m170 -63.59 -51.35 65.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.587 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 73.4 m -45.6 -37.51 5.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 108.338 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.842 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 34.1 mt-30 -68.65 -60.21 2.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' ALA . 28.0 mttt -48.89 -59.57 3.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.827 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -38.89 -72.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -42.01 -59.58 1.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.438 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 56.7 mt -47.63 -55.42 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.494 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 3.9 m-80 -49.7 -27.9 5.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.2 p -112.81 25.52 11.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 110.412 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 44.61 27.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.802 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 54.89 36.37 26.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.527 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . . . -54.56 -39.31 67.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.59 148.11 8.55 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.8 ' HA ' HG23 ' A' ' 32' ' ' ILE . 99.8 t -44.77 -50.95 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.763 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.443 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 3.4 pt-20 -53.38 -42.79 67.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.527 ' OE1' ' HB3' ' A' ' 56' ' ' ALA . 0.2 OUTLIER -63.63 -51.22 66.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.774 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.26 -56.91 11.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.816 ' HE2' HD11 ' A' ' 66' ' ' LEU . 2.9 ttp -54.86 -53.0 61.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -43.2 -46.27 5.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.649 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 69.6 t90 -60.81 -44.81 96.4 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.827 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -58.55 -43.55 89.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.816 HD11 ' HE2' ' A' ' 62' ' ' MET . 36.1 mt -62.54 -13.27 28.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.81 -13.96 13.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.019 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.783 ' O ' HD13 ' A' ' 74' ' ' ILE . 14.3 m-70 -127.5 32.36 5.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.594 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -84.07 -42.58 15.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.973 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -104.4 46.89 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.709 ' O ' HG22 ' A' ' 74' ' ' ILE . 2.7 m-20 -114.62 155.34 46.21 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -32.51 5.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 110.995 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 76' ' ' ALA . 2.6 m-20 -63.51 -38.01 89.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.783 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.8 tp -45.68 -28.57 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -88.78 -37.15 15.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.143 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -50.94 146.75 9.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.3 Cg_endo -75.03 151.54 39.51 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 70.1 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.681 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.647 ' O ' HG23 ' A' ' 33' ' ' VAL . 18.5 t-20 -44.15 135.32 4.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -70.36 -21.6 62.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 110.338 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.69 -53.53 6.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.874 HD12 ' HB3' ' A' ' 55' ' ' ASN . 6.9 mt -60.88 -38.13 78.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 29' ' ' ASN . 83.9 t -71.76 -46.93 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -58.59 -31.58 68.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -74.54 -40.53 61.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.649 HD11 ' CB ' ' A' ' 61' ' ' ALA . 16.4 mt -73.39 -52.93 12.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.64 HG22 ' HA ' ' A' ' 43' ' ' GLN . 93.3 t -52.0 -21.95 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.11 -41.59 13.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.989 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.407 ' CE ' HD23 ' A' ' 36' ' ' LEU . 12.7 mtm -55.08 -27.1 42.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.81 37.09 0.85 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.433 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 52.1 m-85 -112.87 177.01 4.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.763 . . . . 0.0 111.03 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.423 ' OG ' ' ND1' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -93.91 116.71 29.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.64 ' HA ' HG22 ' A' ' 37' ' ' VAL . 57.9 tt0 -37.31 -61.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 tp -40.42 -54.75 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 3.7 m170 -63.88 -51.54 64.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.581 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.433 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 71.5 m -44.03 -38.36 3.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 108.292 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.681 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 84.0 mt-30 -68.52 -60.5 2.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -48.4 -52.54 21.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.862 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -49.87 -68.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.774 ' HB1' ' OD1' ' A' ' 55' ' ' ASN . . . -44.82 -60.13 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 54' ' ' SER . 62.6 mt -49.34 -54.94 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.53 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 3.1 m-80 -47.22 -29.26 2.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 55' ' ' ASN . 38.6 p -113.55 34.3 4.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.377 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 51' ' ' ILE . 0.3 OUTLIER 38.02 30.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.874 ' HB3' HD12 ' A' ' 32' ' ' ILE . 7.9 m-80 45.24 45.99 9.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.624 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . . . -65.31 -33.97 77.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.51 154.39 16.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.762 ' HA ' HG23 ' A' ' 32' ' ' ILE . 76.1 t -50.95 -46.6 30.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.1 pt-20 -56.6 -44.18 80.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.354 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.624 ' OE1' ' HB3' ' A' ' 56' ' ' ALA . 0.3 OUTLIER -61.04 -50.24 74.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.791 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.22 -57.18 11.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.7 ttm -55.98 -52.27 64.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.1 -43.54 4.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.652 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 72.4 t90 -65.2 -43.93 89.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 108.04 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.862 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -60.27 -42.13 94.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.1 mt -64.93 -11.55 39.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -114.08 -14.4 12.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.793 ' O ' HD13 ' A' ' 74' ' ' ILE . 13.5 m-70 -127.76 31.13 5.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.543 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -82.59 -43.01 17.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -104.81 56.68 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.73 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.2 m-20 -126.16 155.65 73.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -31.63 6.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.6 OUTLIER -64.03 -39.17 93.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.793 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.8 tp -46.54 -25.83 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 73' ' ' ASP . 60.8 m-20 -90.56 -36.69 14.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -52.63 145.28 21.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 154.99 42.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.8 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.806 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.508 ' O ' HG23 ' A' ' 33' ' ' VAL . 16.5 t-20 -42.25 130.27 3.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 5.4 mt-10 -69.26 -26.72 64.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -49.55 17.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.112 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.778 HG23 ' HA ' ' A' ' 58' ' ' VAL . 15.4 mt -64.33 -38.47 82.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.586 ' O ' HG23 ' A' ' 37' ' ' VAL . 56.1 t -71.6 -47.54 57.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -57.21 -33.04 67.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -73.51 -48.06 36.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.522 ' HA ' ' HE3' ' A' ' 39' ' ' MET . 6.7 mt -65.51 -55.79 15.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.65 HG22 ' HA ' ' A' ' 43' ' ' GLN . 89.0 t -46.65 -25.64 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -77.25 -41.02 42.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.032 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.522 ' HE3' ' HA ' ' A' ' 36' ' ' LEU . 16.7 mtt -56.82 -29.93 63.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.09 -11.67 5.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.423 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 45.6 m-85 -59.37 174.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -96.83 117.32 30.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.034 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.65 ' HA ' HG22 ' A' ' 37' ' ' VAL . 54.2 tt0 -35.09 -60.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.2 tp -40.51 -49.6 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.545 ' CD2' HG13 ' A' ' 74' ' ' ILE . 3.7 m170 -68.5 -51.39 43.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.626 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.423 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 76.4 m -45.87 -41.55 11.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 108.304 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.806 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 33.5 mt-30 -64.6 -59.37 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.45 ' CG ' HG12 ' A' ' 78' ' ' ILE . 28.6 mttt -50.98 -56.59 11.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.805 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -42.82 -70.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -43.48 -60.0 1.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.43 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 56.4 mt -47.38 -57.08 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.566 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 5.8 m-80 -48.23 -24.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' SER . 35.3 p -119.47 31.83 6.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER 37.38 36.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.029 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.756 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 42.4 43.51 3.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.69 -38.26 81.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.99 147.1 9.12 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.778 ' HA ' HG23 ' A' ' 32' ' ' ILE . 80.1 t -46.69 -36.91 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.487 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.9 pt-20 -64.32 -45.41 88.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.487 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 4.8 mt-10 -62.43 -48.08 81.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.805 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.47 -54.94 29.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.2 ttm -58.23 -51.23 70.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -45.34 -40.07 7.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.65 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 66.1 t90 -67.66 -41.47 83.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 107.994 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.774 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.9 OUTLIER -61.79 -45.4 94.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.9 mt -64.65 -12.09 42.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.91 -6.35 13.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.03 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.794 ' O ' HD13 ' A' ' 74' ' ' ILE . 15.6 m-70 -133.54 26.11 4.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.61 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -79.12 -42.12 27.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -105.53 59.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.74 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.6 OUTLIER -130.78 155.42 81.39 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -31.27 6.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.544 1.813 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.0 OUTLIER -64.31 -38.23 90.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.794 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.9 tp -47.37 -28.99 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.76 -33.17 17.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -56.09 144.03 60.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 158.67 42.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.45 HG12 ' CG ' ' A' ' 48' ' ' LYS . 68.8 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.803 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -40.62 128.09 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.566 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 19.6 mt-10 -67.21 -24.46 65.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.89 -49.91 13.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.812 HG23 ' HA ' ' A' ' 58' ' ' VAL . 15.9 mt -63.52 -40.89 90.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.1 t -70.25 -50.52 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -50.11 -30.88 12.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.529 ' OE1' HG21 ' A' ' 58' ' ' VAL . 44.4 mt-30 -76.72 -46.95 23.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.539 HD23 ' CE ' ' A' ' 39' ' ' MET . 10.9 mt -65.2 -51.57 60.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 43' ' ' GLN . 72.1 t -53.96 -20.36 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.84 -40.44 12.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.02 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.539 ' CE ' HD23 ' A' ' 36' ' ' LEU . 11.1 mtm -56.11 -28.27 57.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.08 41.76 0.58 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.433 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 49.1 m-85 -118.41 176.69 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.42 ' HB2' ' ND1' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -93.49 116.92 29.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.002 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.481 ' HA ' HG22 ' A' ' 37' ' ' VAL . 54.3 tt0 -40.48 -61.35 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 43' ' ' GLN . 6.1 tp -40.0 -44.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 6.6 m170 -75.08 -49.08 20.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.583 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.712 ' HA ' HD11 ' A' ' 65' ' ' LEU . 81.8 m -48.36 -39.81 23.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 108.275 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.803 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 36.2 mt-30 -63.56 -57.75 9.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' ALA . 22.7 mttt -51.47 -59.81 3.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.871 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -37.89 -73.73 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -42.17 -62.19 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.442 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 57.7 mt -45.03 -57.44 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.404 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 3.6 m-80 -48.47 -32.03 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.7 p -108.03 27.43 9.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.376 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.2 27.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.791 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 52.46 35.97 19.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.85 -41.78 62.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.26 151.58 13.11 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.812 ' HA ' HG23 ' A' ' 32' ' ' ILE . 57.8 t -45.95 -50.93 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.475 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.4 pt-20 -53.42 -44.87 69.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.475 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.4 mt-10 -61.73 -51.38 68.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.829 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.83 -56.97 11.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.884 ' HE2' HD11 ' A' ' 66' ' ' LEU . 3.0 ttp -55.4 -52.68 62.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.56 -45.68 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.657 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 66.4 t90 -60.99 -45.23 95.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 107.98 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.871 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 1.6 mt -57.77 -42.65 84.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.884 HD11 ' HE2' ' A' ' 62' ' ' MET . 23.9 mt -67.89 -9.52 45.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.63 -7.73 12.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.776 ' O ' HD13 ' A' ' 74' ' ' ILE . 32.0 m-70 -130.66 20.55 5.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -74.89 -42.1 58.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.13 57.0 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.862 ' O ' HG22 ' A' ' 74' ' ' ILE . 2.7 m-20 -127.51 155.22 77.15 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -31.91 5.8 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.502 1.79 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.9 OUTLIER -65.81 -37.95 87.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.862 HG22 ' O ' ' A' ' 71' ' ' ASP . 5.3 tp -45.85 -27.41 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 73' ' ' ASP . 63.5 m-20 -89.22 -37.36 15.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -49.93 145.45 9.13 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.1 Cg_endo -75.04 150.94 38.7 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 43.2 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.828 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.58 ' O ' HG23 ' A' ' 33' ' ' VAL . 13.4 t-20 -39.61 146.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -81.25 -24.77 37.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.243 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -79.2 -50.87 10.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.803 HD12 ' HB3' ' A' ' 55' ' ' ASN . 16.0 mt -62.24 -33.44 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.589 ' O ' HG23 ' A' ' 37' ' ' VAL . 55.4 t -77.57 -38.81 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -64.6 -32.87 74.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -74.34 -43.39 56.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.665 HD23 ' CE ' ' A' ' 39' ' ' MET . 17.1 mt -69.75 -57.44 5.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.655 HG22 ' HA ' ' A' ' 43' ' ' GLN . 77.8 t -45.64 -26.58 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -80.82 -42.1 22.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.962 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.665 ' CE ' HD23 ' A' ' 36' ' ' LEU . 12.3 mtt -53.06 -29.27 29.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.108 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.44 -5.53 7.15 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.491 1.12 . . . . 0.0 110.966 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 62' ' ' MET . 44.5 m-85 -68.69 175.9 3.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.427 ' OG ' ' ND1' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -96.27 121.85 38.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.017 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.655 ' HA ' HG22 ' A' ' 37' ' ' VAL . 61.7 tt0 -38.56 -60.69 0.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tp -40.33 -51.87 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.558 ' CD2' HG13 ' A' ' 74' ' ' ILE . 3.5 m170 -68.2 -49.86 58.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.576 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.437 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 79.2 m -46.44 -33.82 4.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.327 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.828 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 91.6 mt-30 -71.63 -59.95 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ALA . 26.7 mttt -49.78 -57.77 6.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.775 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -38.6 -71.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -44.2 -60.04 2.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.436 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 54.9 mt -46.73 -56.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.505 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 6.8 m-80 -49.1 -24.64 1.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.0 p -117.88 28.14 8.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 42.99 27.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.032 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.803 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 53.66 36.89 24.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.24 -41.89 65.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -171.54 157.13 27.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.138 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.78 ' HA ' HG23 ' A' ' 32' ' ' ILE . 37.7 t -53.32 -44.86 55.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.1 pt-20 -59.51 -43.1 93.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.3 mt-10 -61.76 -51.17 69.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.774 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.27 -57.19 10.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.844 ' HE2' HD11 ' A' ' 66' ' ' LEU . 3.2 ttp -55.25 -53.09 60.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -42.62 -46.27 4.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.64 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 70.0 t90 -61.1 -45.68 93.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.775 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -57.61 -41.27 80.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.844 HD11 ' HE2' ' A' ' 62' ' ' MET . 39.5 mt -64.84 -11.69 40.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.6 m -113.25 -16.97 12.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.014 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.714 ' O ' HD13 ' A' ' 74' ' ' ILE . 15.5 m-70 -124.46 29.77 6.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.602 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -75.4 -47.89 25.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -107.93 41.22 1.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.662 ' O ' HG22 ' A' ' 74' ' ' ILE . 3.2 m-20 -98.25 156.93 35.26 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -18.36 18.93 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 111.049 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 76' ' ' ALA . 2.2 m-20 -82.43 -36.24 26.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.714 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.5 tp -47.93 -36.46 5.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -81.48 -28.98 33.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -65.28 145.56 99.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.237 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 168.12 25.52 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.408 HD11 ' HB2' ' A' ' 47' ' ' GLN . 63.7 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.81 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 55' ' ' ASN . 17.2 t-20 -38.73 127.23 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.511 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 2.4 mt-10 -67.41 -26.12 66.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.25 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -47.16 27.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.854 HG23 ' HA ' ' A' ' 58' ' ' VAL . 19.7 mt -66.71 -39.41 83.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.408 HG13 ' HB2' ' A' ' 46' ' ' CYS . 53.2 t -71.36 -48.5 53.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -52.72 -31.62 38.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.639 ' OE1' HG21 ' A' ' 58' ' ' VAL . 52.1 mt-30 -75.7 -47.46 26.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.619 HD23 ' CE ' ' A' ' 39' ' ' MET . 19.0 mt -64.24 -53.43 49.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.632 HG22 ' HA ' ' A' ' 43' ' ' GLN . 77.2 t -51.1 -22.56 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.1 -38.58 12.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.003 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.619 ' CE ' HD23 ' A' ' 36' ' ' LEU . 11.4 mtm -56.9 -25.51 57.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.21 34.72 1.09 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.436 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 49.6 m-85 -112.97 178.83 4.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.431 ' OG ' ' ND1' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -96.24 118.98 33.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.027 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.632 ' HA ' HG22 ' A' ' 37' ' ' VAL . 55.1 tt0 -37.94 -59.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 tp -42.54 -54.64 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 3.4 m170 -64.14 -51.3 64.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.614 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 76.8 m -43.78 -40.04 4.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 108.299 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.81 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 36.4 mt-30 -67.32 -60.18 2.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -48.44 -56.1 9.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.364 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.803 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -43.21 -69.55 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -44.81 -60.2 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.1 mt -46.61 -56.56 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.499 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 5.6 m-80 -48.53 -26.31 2.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 50' ' ' ALA . 50.8 p -117.42 30.23 7.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.422 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER 38.08 36.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.977 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.758 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.2 OUTLIER 41.36 45.1 2.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 109.262 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.94 -32.46 74.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.62 148.56 9.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.459 1.1 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.854 ' HA ' HG23 ' A' ' 32' ' ' ILE . 55.3 t -47.42 -48.71 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.2 pt-20 -55.31 -44.74 76.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 6.6 mm-40 -57.84 -53.69 55.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.753 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -51.73 -59.1 4.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.859 ' HE2' HD11 ' A' ' 66' ' ' LEU . 2.2 ttp -52.95 -53.35 51.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -43.22 -47.07 6.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.652 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 73.8 t90 -60.29 -44.19 95.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 108.017 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.803 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -59.96 -42.51 94.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.859 HD11 ' HE2' ' A' ' 62' ' ' MET . 37.6 mt -64.05 -12.55 39.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.14 -6.94 11.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.773 ' O ' HD13 ' A' ' 74' ' ' ILE . 19.4 m-70 -131.59 26.72 4.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.618 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -80.53 -41.79 23.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -106.7 55.97 0.66 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.781 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -125.13 155.99 70.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -30.84 6.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.788 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.3 m-20 -65.94 -39.12 90.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.781 HG22 ' O ' ' A' ' 71' ' ' ASP . 4.3 tp -46.23 -26.12 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 73' ' ' ASP . 57.5 m-20 -91.14 -36.93 13.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -51.58 148.95 8.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.4 Cg_endo -74.98 158.67 42.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 0.0 110.998 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.6 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.773 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.41 ' O ' HG23 ' A' ' 33' ' ' VAL . 17.3 t-20 -41.06 132.25 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.492 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 1.2 mt-10 -68.72 -26.26 65.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -53.72 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.9 HG23 ' HA ' ' A' ' 58' ' ' VAL . 15.7 mt -59.5 -37.41 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 37' ' ' VAL . 44.3 t -73.89 -48.33 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -56.54 -34.28 66.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -71.72 -44.84 63.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.675 HD11 ' HB3' ' A' ' 61' ' ' ALA . 8.3 mt -69.19 -54.39 15.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.567 HG22 ' HA ' ' A' ' 43' ' ' GLN . 78.5 t -48.65 -23.97 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -84.91 -41.37 16.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.974 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.44 ' CE ' HD23 ' A' ' 36' ' ' LEU . 11.5 mtm -53.89 -29.41 41.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.55 40.71 0.6 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.545 1.153 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.433 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 39.2 m-85 -114.16 -171.83 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.754 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -105.25 113.21 26.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.014 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.567 ' HA ' HG22 ' A' ' 37' ' ' VAL . 48.4 tt0 -35.56 -62.34 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' GLN . 5.2 tp -39.29 -47.8 1.75 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.565 ' CD2' HG13 ' A' ' 74' ' ' ILE . 6.8 m170 -72.12 -49.04 39.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.577 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.433 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 92.0 m -49.22 -28.84 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.258 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.773 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 34.1 mt-30 -76.04 -58.96 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.352 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -50.58 -54.16 24.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.853 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -43.04 -69.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -46.32 -62.81 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.432 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 51.5 mt -44.12 -50.53 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.514 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 4.2 m-80 -55.31 -37.45 67.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 50' ' ' ALA . 35.5 p -104.94 28.37 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.378 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.428 ' C ' ' CG ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER 40.13 35.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.015 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.781 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 46.22 41.96 9.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.493 ' HB3' ' CD ' ' A' ' 60' ' ' GLU . . . -58.46 -23.03 56.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 166.79 156.47 9.68 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.9 ' HA ' HG23 ' A' ' 32' ' ' ILE . 46.4 t -50.05 -42.55 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 0.793 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.1 pt-20 -63.56 -41.72 98.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.493 ' CD ' ' HB3' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -60.51 -53.54 56.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.853 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -51.51 -58.73 5.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.768 ' HE2' HD11 ' A' ' 66' ' ' LEU . 2.0 ttp -53.96 -52.79 59.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -42.81 -46.68 5.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.652 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 74.4 t90 -61.1 -45.51 94.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 107.972 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.762 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -57.29 -44.3 83.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.768 HD11 ' HE2' ' A' ' 62' ' ' MET . 32.3 mt -62.98 -12.94 29.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m -113.52 -10.31 13.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.801 ' O ' HD13 ' A' ' 74' ' ' ILE . 14.2 m-70 -132.86 33.6 3.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.619 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -85.01 -41.65 15.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 110.97 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -104.7 46.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.812 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -113.33 154.91 45.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -32.73 5.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.492 1.785 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 76' ' ' ALA . 4.2 m-20 -64.51 -37.53 87.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.812 HG22 ' O ' ' A' ' 71' ' ' ASP . 4.7 tp -45.81 -30.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -85.49 -37.31 19.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -53.6 144.44 33.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 157.65 42.79 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.549 1.815 . . . . 0.0 111.037 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.414 HD11 ' HB2' ' A' ' 47' ' ' GLN . 94.3 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.767 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.469 ' O ' HG23 ' A' ' 33' ' ' VAL . 19.1 t-20 -40.13 138.88 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 2.9 mt-10 -75.45 -20.75 58.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.348 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -53.15 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.823 HD12 ' HB3' ' A' ' 55' ' ' ASN . 3.9 mt -61.15 -32.99 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 29' ' ' ASN . 40.2 t -76.29 -47.1 31.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -58.26 -32.97 68.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -72.65 -42.33 64.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.596 HD11 ' CB ' ' A' ' 61' ' ' ALA . 18.7 mt -71.18 -56.24 6.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.636 HG22 ' HA ' ' A' ' 43' ' ' GLN . 84.7 t -48.97 -23.72 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -85.39 -39.07 18.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.005 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.492 ' CE ' ' CG1' ' A' ' 58' ' ' VAL . 14.8 mtm -58.45 -23.33 57.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.37 40.33 0.96 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.434 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 51.2 m-85 -117.19 173.55 6.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.419 ' HB2' ' CG ' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -88.8 118.9 28.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 110.003 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.636 ' HA ' HG22 ' A' ' 37' ' ' VAL . 42.1 tt0 -38.64 -61.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tp -40.34 -56.7 1.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 4.6 m170 -60.11 -53.2 60.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.597 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.566 ' HA ' HD11 ' A' ' 65' ' ' LEU . 73.9 m -44.13 -44.28 7.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.145 . . . . 0.0 108.292 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.767 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 35.2 mt-30 -62.05 -59.82 4.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -48.77 -58.84 4.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.856 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -41.9 -70.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.824 ' HB1' ' OD1' ' A' ' 55' ' ' ASN . . . -42.32 -60.17 1.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 54' ' ' SER . 67.2 mt -48.13 -56.2 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.402 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 5.3 m-80 -48.09 -32.63 7.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 49' ' ' ALA . 7.3 p -107.7 31.33 5.54 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.496 1.122 . . . . 0.0 110.394 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 51' ' ' ILE . 0.3 OUTLIER 38.79 30.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.038 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.824 ' OD1' ' HB1' ' A' ' 50' ' ' ALA . 14.8 m-80 47.98 44.4 18.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.37 -14.39 62.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 161.44 159.59 10.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.745 ' HA ' HG23 ' A' ' 32' ' ' ILE . 95.2 t -57.37 -47.71 84.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.774 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.48 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.5 pt-20 -53.63 -45.08 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.48 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -63.15 -51.48 66.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.337 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.794 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.13 -56.88 12.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.791 ' HE2' HD11 ' A' ' 66' ' ' LEU . 2.6 ttp -54.8 -53.25 57.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -42.7 -46.51 5.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.667 ' CZ2' ' CG ' ' A' ' 68' ' ' HIS . 74.5 t90 -60.62 -45.38 94.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 108.013 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.856 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 1.5 mt -57.66 -40.36 79.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.791 HD11 ' HE2' ' A' ' 62' ' ' MET . 27.2 mt -68.29 -8.93 43.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 t -113.56 -19.87 11.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.764 ' O ' HD13 ' A' ' 74' ' ' ILE . 35.5 m-70 -119.27 21.37 12.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.624 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -72.86 -45.67 57.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -105.32 53.58 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.657 ' O ' HG22 ' A' ' 74' ' ' ILE . 2.4 m-20 -122.68 154.5 63.5 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -27.27 10.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' ALA . 2.7 m-20 -68.71 -38.82 80.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.764 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.6 tp -45.48 -28.41 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -87.93 -38.07 15.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -49.14 144.03 8.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.3 Cg_endo -75.05 151.04 38.82 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.525 1.802 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.5 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -180.0 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.823 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 28' ' ' ALA . 13.2 t-20 -39.96 146.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.548 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -81.51 -24.37 36.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -79.26 -52.14 8.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.837 HG23 ' HA ' ' A' ' 58' ' ' VAL . 9.5 mt -61.36 -34.61 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.655 ' O ' HG23 ' A' ' 37' ' ' VAL . 22.7 t -77.15 -39.26 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -63.3 -34.81 78.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.627 ' CD ' HG21 ' A' ' 58' ' ' VAL . 44.6 mt-30 -72.55 -45.98 56.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.473 HD11 ' HB3' ' A' ' 61' ' ' ALA . 9.0 mt -66.37 -55.16 17.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 33' ' ' VAL . 69.4 t -48.78 -24.17 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -83.27 -41.67 18.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.012 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.468 ' CE ' HD23 ' A' ' 36' ' ' LEU . 12.7 mtm -53.66 -28.8 35.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.12 39.92 0.78 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.423 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 31.3 m-85 -111.38 -171.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -105.36 115.32 30.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.972 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 44' ' ' LEU . 60.9 tt0 -37.5 -65.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 43' ' ' GLN . 7.1 tp -37.76 -41.87 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.567 ' CD2' HG13 ' A' ' 74' ' ' ILE . 11.7 m170 -77.79 -48.87 15.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.587 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.423 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 99.2 m -50.14 -29.32 8.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 108.302 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.823 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 91.3 mt-30 -74.31 -58.94 2.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' ALA . 23.7 mttt -50.73 -58.74 5.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 0.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.87 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -39.24 -71.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.97 -60.81 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.459 ' CG1' ' N ' ' A' ' 28' ' ' ALA . 62.2 mt -46.37 -56.41 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.489 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 5.9 m-80 -48.74 -33.17 9.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.68 HG23 ' O ' ' A' ' 49' ' ' ALA . 7.6 p -106.82 28.18 8.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.432 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 42.29 28.57 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.634 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 51.5 35.49 14.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.251 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.589 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . . . -53.93 -38.62 65.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.91 158.12 26.76 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.556 1.16 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.837 ' HA ' HG23 ' A' ' 32' ' ' ILE . 53.6 t -54.92 -43.5 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 0.785 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 3.6 pt-20 -60.68 -43.38 97.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.589 ' OE1' ' HB3' ' A' ' 56' ' ' ALA . 0.3 OUTLIER -61.78 -51.66 67.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.794 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.52 -58.4 6.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.93 ' HE2' HD11 ' A' ' 66' ' ' LEU . 3.0 ttp -53.7 -53.44 52.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -42.81 -45.78 4.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.649 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 65.1 t90 -61.43 -45.6 93.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 107.979 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.87 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.6 OUTLIER -56.86 -43.71 81.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.93 HD11 ' HE2' ' A' ' 62' ' ' MET . 23.5 mt -65.73 -10.99 41.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -112.78 -12.0 13.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.773 ' O ' HD13 ' A' ' 74' ' ' ILE . 13.5 m-70 -131.62 30.68 4.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.635 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -81.43 -43.03 19.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -105.31 58.99 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.354 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.822 ' O ' HG22 ' A' ' 74' ' ' ILE . 2.2 m-20 -127.49 156.09 75.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -30.54 7.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.8 OUTLIER -66.76 -38.48 86.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.822 HG22 ' O ' ' A' ' 71' ' ' ASP . 4.5 tp -47.79 -31.97 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -84.26 -32.04 24.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -60.47 148.88 79.53 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.363 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 157.35 43.16 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.481 1.779 . . . . 0.0 111.047 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 21.9 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.794 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.466 ' OD1' ' CB ' ' A' ' 31' ' ' GLU . 21.9 t-20 -39.5 129.17 1.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -65.32 -28.69 69.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.466 ' CB ' ' OD1' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -74.01 -52.32 13.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.8 HG23 ' HA ' ' A' ' 58' ' ' VAL . 24.5 mt -58.84 -38.29 71.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.439 ' CG2' ' HA ' ' A' ' 47' ' ' GLN . 48.2 t -72.85 -50.92 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.45 -31.61 46.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -74.77 -43.69 53.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.553 HD23 ' HE1' ' A' ' 39' ' ' MET . 14.3 mt -69.23 -58.09 4.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.613 HG22 ' HA ' ' A' ' 43' ' ' GLN . 70.9 t -45.61 -26.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -82.37 -40.61 21.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.974 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.553 ' HE1' HD23 ' A' ' 36' ' ' LEU . 12.8 mtm -55.34 -26.9 43.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.92 38.91 0.93 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.558 1.161 . . . . 0.0 111.034 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.437 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 38.6 m-85 -113.48 -173.92 2.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.415 ' HB2' ' ND1' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -99.57 118.5 36.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 109.974 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.613 ' HA ' HG22 ' A' ' 37' ' ' VAL . 55.7 tt0 -38.54 -63.44 0.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' GLN . 8.1 tp -38.94 -57.66 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.173 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.516 ' CB ' HD21 ' A' ' 65' ' ' LEU . 4.1 m170 -61.65 -51.96 66.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.592 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.437 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 89.2 m -43.43 -45.48 6.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 108.316 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.794 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 78.5 mt-30 -60.09 -59.73 4.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.534 ' O ' ' C ' ' A' ' 49' ' ' ALA . 31.2 mttt -47.75 -62.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.785 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -30.31 -71.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 54' ' ' SER . . . -45.08 -52.32 9.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' LYS . 49.7 mt -55.06 -46.92 77.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.637 ' OD1' ' CZ3' ' A' ' 64' ' ' TRP . 2.3 m120 -64.34 -12.11 38.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 56' ' ' ALA . 12.8 p -127.67 22.5 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.44 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER 42.78 35.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.782 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 53.15 42.36 32.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 53' ' ' THR . . . -82.65 48.93 1.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.13 153.11 28.6 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.8 ' HA ' HG23 ' A' ' 32' ' ' ILE . 89.3 t -61.94 -50.17 81.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.469 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.2 pt-20 -49.37 -44.41 44.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -60.98 -48.0 83.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.785 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -54.67 -55.79 26.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' LEU . 2.6 ttm -58.4 -51.82 68.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -43.49 -40.46 3.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.655 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 90.4 t90 -67.49 -46.02 74.15 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.582 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.8 OUTLIER -55.11 -45.5 75.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.9 mt -63.66 -12.42 33.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.42 -5.04 12.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.788 ' O ' HD13 ' A' ' 74' ' ' ILE . 12.5 m-70 -136.09 28.78 3.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.583 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -77.59 -45.35 25.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -103.49 58.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.869 ' O ' HG22 ' A' ' 74' ' ' ILE . 2.0 m-20 -126.69 156.18 73.86 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -31.19 6.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.793 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.7 m-20 -67.13 -40.91 86.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.869 HG22 ' O ' ' A' ' 71' ' ' ASP . 4.2 tp -48.24 -25.31 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 73' ' ' ASP . 0.4 OUTLIER -93.55 -31.84 14.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -53.11 148.47 14.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 148.48 35.28 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 67.5 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.828 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.475 ' O ' HG23 ' A' ' 33' ' ' VAL . 18.4 t-20 -39.0 123.38 1.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 1.6 mt-10 -63.69 -28.34 69.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -42.17 67.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.864 HG23 ' HA ' ' A' ' 58' ' ' VAL . 38.0 mt -70.51 -38.81 75.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.593 HG13 ' HB2' ' A' ' 46' ' ' CYS . 96.4 t -72.92 -53.56 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -47.96 -28.52 2.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.582 ' NE2' HG21 ' A' ' 58' ' ' VAL . 45.6 mt-30 -79.39 -45.25 19.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.328 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.603 HD23 ' CE ' ' A' ' 39' ' ' MET . 16.8 mt -67.28 -53.05 33.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' A' ' 43' ' ' GLN . 86.9 t -50.9 -22.5 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.43 -38.9 14.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.603 ' CE ' HD23 ' A' ' 36' ' ' LEU . 13.0 mtm -58.27 -25.77 62.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.18 39.32 0.88 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 42.4 m-85 -115.7 177.45 4.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.777 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.443 ' HB2' ' CG ' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -93.94 117.78 30.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.497 ' HA ' HG22 ' A' ' 37' ' ' VAL . 64.8 tt0 -38.3 -63.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 43' ' ' GLN . 9.0 tp -39.43 -47.99 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.538 ' CB ' HD21 ' A' ' 65' ' ' LEU . 4.6 m170 -71.27 -49.37 43.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.575 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.593 ' HB2' HG13 ' A' ' 33' ' ' VAL . 73.8 m -46.47 -45.59 18.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 108.258 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.828 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 36.7 mt-30 -59.74 -57.45 12.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.524 ' O ' ' C ' ' A' ' 49' ' ' ALA . 30.3 mttt -49.36 -61.57 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.776 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -30.97 -71.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' SER . . . -45.47 -51.81 11.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' LYS . 57.5 mt -54.83 -48.51 73.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.641 ' OD1' ' CZ3' ' A' ' 64' ' ' TRP . 2.2 m120 -62.6 -13.68 34.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 56' ' ' ALA . 62.1 p -126.47 23.73 6.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER 40.08 39.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.993 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.646 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 46.1 40.61 7.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.318 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 53' ' ' THR . . . -63.18 -29.15 70.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 171.73 145.29 4.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.135 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.864 ' HA ' HG23 ' A' ' 32' ' ' ILE . 46.7 t -44.9 -55.6 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 5.2 pt-20 -50.17 -43.49 52.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.457 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.2 mt-10 -60.77 -48.48 81.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.776 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.37 -56.15 19.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.15 . . . . 0.0 109.371 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.869 ' HE2' HD11 ' A' ' 66' ' ' LEU . 3.5 ttp -58.08 -53.73 54.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -43.15 -40.47 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.649 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 90.2 t90 -66.68 -47.11 73.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 108.011 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.593 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 0.8 OUTLIER -54.53 -43.6 72.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.869 HD11 ' HE2' ' A' ' 62' ' ' MET . 23.8 mt -64.56 -11.74 37.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.06 -3.37 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.028 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.82 ' O ' HD13 ' A' ' 74' ' ' ILE . 18.9 m-70 -135.93 25.5 3.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.594 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -76.44 -44.59 35.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -103.02 56.18 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.898 ' O ' HG22 ' A' ' 74' ' ' ILE . 2.3 m-20 -123.21 155.83 64.17 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -32.21 5.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.4 OUTLIER -66.95 -40.46 87.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.898 HG22 ' O ' ' A' ' 71' ' ' ASP . 3.7 tp -48.18 -26.81 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -91.7 -31.52 15.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -55.61 148.23 36.18 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.84 37.19 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.506 1.793 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -149.76 143.98 25.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 0.745 . . . . 0.0 109.992 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.0 m -103.91 -59.39 1.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.017 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.5 111.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.67 113.62 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 110.027 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 p 179.17 122.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.99 157.69 28.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -128.45 132.38 7.28 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -105.4 -43.13 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 58.76 155.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.87 150.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.579 1.175 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 mt -105.65 156.63 36.17 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -177.43 3.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -107.6 91.22 3.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.57 -92.02 1.33 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.438 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 1.4 p -156.1 134.99 7.66 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 16' ' ' VAL . 18.3 Cg_endo -75.0 120.95 6.28 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.414 ' HG2' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER 61.2 143.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.266 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.414 ' N ' ' HG2' ' A' ' 18' ' ' GLU . 21.2 tt0 59.62 102.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.7 t -84.79 147.85 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.3 154.48 41.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.31 170.61 9.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 t -76.58 108.08 9.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -169.13 75.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -133.93 155.92 79.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.681 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -74.97 176.66 9.61 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.423 1.749 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.443 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 15.4 m -140.46 134.27 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.817 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -62.89 88.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -41.09 139.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 4.6 mp0 -75.93 -24.81 55.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -46.8 19.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.802 HD12 ' HB3' ' A' ' 55' ' ' ASN . 9.2 mt -67.28 -36.16 75.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 37' ' ' VAL . 16.8 t -74.7 -50.89 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -53.76 -30.8 46.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.514 ' CD ' HG21 ' A' ' 58' ' ' VAL . 36.2 mt-30 -75.59 -46.46 31.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.484 HD11 ' CB ' ' A' ' 61' ' ' ALA . 12.1 mt -66.92 -49.51 65.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.67 HG22 ' HA ' ' A' ' 43' ' ' GLN . 83.9 t -55.03 -19.7 4.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.128 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.65 -40.33 11.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.968 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.427 ' CE ' ' CG1' ' A' ' 58' ' ' VAL . 12.9 mtm -55.65 -27.47 50.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.83 39.21 0.66 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.438 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 50.6 m-85 -117.43 177.3 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 111.006 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -94.12 118.82 32.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.67 ' HA ' HG22 ' A' ' 37' ' ' VAL . 51.0 tt0 -38.58 -58.53 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 tp -40.34 -56.21 2.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.576 ' CD2' HG13 ' A' ' 74' ' ' ILE . 6.3 m170 -64.5 -50.5 67.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.58 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.438 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 73.3 m -45.64 -35.75 4.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 108.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.817 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 86.4 mt-30 -70.72 -59.81 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' ALA . 26.7 mttt -49.86 -58.37 5.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.801 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -39.28 -70.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -44.06 -59.83 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.681 HG23 ' HG2' ' A' ' 26' ' ' PRO . 55.2 mt -46.86 -55.15 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.4 ' OD1' ' NE1' ' A' ' 64' ' ' TRP . 3.9 m-80 -48.78 -31.38 6.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 49' ' ' ALA . 18.4 p -110.23 26.09 11.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 44.24 28.57 0.29 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.962 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.802 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 54.77 37.89 29.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' THR . . . -55.45 -39.58 70.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.65 150.26 10.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.794 ' HA ' HG23 ' A' ' 32' ' ' ILE . 71.9 t -47.54 -41.58 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.447 0.734 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 6.4 pt-20 -61.58 -45.24 94.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.5 mt-10 -61.31 -50.31 73.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.79 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.95 -57.37 10.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.876 ' HE2' HD11 ' A' ' 66' ' ' LEU . 3.0 ttp -55.31 -52.83 62.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -43.16 -45.51 5.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.653 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 76.8 t90 -61.77 -45.54 93.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 107.996 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.801 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -56.88 -44.11 81.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.876 HD11 ' HE2' ' A' ' 62' ' ' MET . 26.0 mt -64.69 -11.98 41.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.11 -3.34 12.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.027 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.778 ' O ' HD13 ' A' ' 74' ' ' ILE . 23.8 m-70 -134.16 22.64 3.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.595 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -77.47 -40.1 44.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -106.82 59.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.765 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.8 m-20 -131.21 155.56 81.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -31.73 5.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.1 m-20 -64.64 -39.59 93.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.778 HD13 ' O ' ' A' ' 68' ' ' HIS . 4.0 tp -46.52 -25.69 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.416 ' N ' ' C ' ' A' ' 73' ' ' ASP . 59.1 m-20 -91.63 -36.64 13.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -52.52 147.21 15.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.2 Cg_endo -75.04 152.35 40.49 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.783 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.7 mt -68.78 -51.72 42.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.45 100.04 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.015 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -143.49 -157.61 7.24 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 75.8 3.58 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.464 1.771 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 88.3 p -44.84 146.75 0.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.2 t -175.64 119.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.051 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.27 133.94 2.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 0.765 . . . . 0.0 109.993 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -103.76 -6.03 21.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.984 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.53 -159.7 17.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.12 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -136.03 157.06 47.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.767 . . . . 0.0 109.964 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -135.88 138.76 42.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.2 -137.63 5.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.448 1.093 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -159.2 161.1 31.8 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -91.07 113.89 26.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 0.791 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.1 161.02 1.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.487 ' H ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -74.12 154.84 38.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' LEU . 1.6 pp -39.46 99.86 0.2 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.0 67.68 5.89 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.516 1.798 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 40.47 89.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -86.87 86.06 1.55 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.694 HG13 ' HD2' ' A' ' 17' ' ' PRO . 77.5 t -64.31 142.98 98.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.764 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.694 ' HD2' HG13 ' A' ' 16' ' ' VAL . 18.2 Cg_endo -75.02 64.36 6.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -40.23 158.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -114.42 82.31 1.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.344 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.7 t -130.75 141.24 46.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.0 ptt? -50.67 130.8 25.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -105.7 150.88 25.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -101.03 173.17 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.054 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.72 88.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 23' ' ' SER . 12.9 pt20 -137.73 153.47 74.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.812 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.05 178.07 7.77 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.5 1.789 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' ASN . 5.5 m -141.3 125.83 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.772 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -52.53 91.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' VAL . 16.8 t-20 -40.21 131.24 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.486 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 2.1 mt-10 -69.86 -26.47 64.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.435 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -77.01 -46.26 24.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.749 HG23 ' HA ' ' A' ' 58' ' ' VAL . 8.4 mt -68.83 -36.75 75.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 37' ' ' VAL . 38.2 t -73.33 -47.73 45.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -55.1 -35.89 65.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.811 ' OE1' HG21 ' A' ' 58' ' ' VAL . 43.4 mt-30 -70.65 -50.08 40.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.57 HD11 ' CB ' ' A' ' 61' ' ' ALA . 19.3 mt -61.4 -52.65 63.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.628 HG22 ' HA ' ' A' ' 43' ' ' GLN . 83.1 t -53.53 -20.81 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.86 -40.77 12.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.967 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.571 ' CE ' ' CG1' ' A' ' 58' ' ' VAL . 12.0 mtm -56.59 -27.27 57.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.004 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.96 41.8 0.58 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.469 1.105 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.436 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 54.4 m-85 -119.22 172.79 7.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.409 ' HB2' ' ND1' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -88.97 117.45 28.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.971 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.628 ' HA ' HG22 ' A' ' 37' ' ' VAL . 53.1 tt0 -38.28 -60.88 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 tp -39.94 -54.96 2.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.556 ' CD2' HG13 ' A' ' 74' ' ' ILE . 3.8 m170 -63.68 -51.38 65.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.608 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 73.6 m -44.65 -37.77 3.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 108.278 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.772 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 93.3 mt-30 -68.26 -60.15 2.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -49.75 -54.49 18.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.808 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -44.6 -69.75 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -45.25 -61.27 1.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.812 HG23 ' HG2' ' A' ' 26' ' ' PRO . 58.6 mt -45.72 -57.53 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -46.83 -33.62 4.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 49' ' ' ALA . 27.0 p -109.42 33.02 4.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' ILE . 0.3 OUTLIER 37.33 35.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 109.975 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.694 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.1 OUTLIER 41.67 44.39 2.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.536 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . . . -65.6 -16.75 64.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 166.59 161.22 15.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.811 HG21 ' OE1' ' A' ' 35' ' ' GLN . 93.8 t -60.43 -42.67 91.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 3.7 pt-20 -59.55 -43.07 93.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.536 ' OE1' ' HB3' ' A' ' 56' ' ' ALA . 0.2 OUTLIER -63.37 -52.29 62.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.78 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.43 -57.32 10.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.877 ' HE2' HD11 ' A' ' 66' ' ' LEU . 2.4 ttp -54.52 -53.18 57.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -42.78 -46.71 5.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.654 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 75.7 t90 -60.52 -45.7 92.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 108.028 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.808 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -57.36 -43.78 83.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.877 HD11 ' HE2' ' A' ' 62' ' ' MET . 30.6 mt -63.85 -12.52 36.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.12 -6.82 12.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.759 ' O ' HD13 ' A' ' 74' ' ' ILE . 21.2 m-70 -132.4 26.93 4.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.621 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -80.12 -45.67 17.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -102.71 57.1 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.683 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -127.37 155.53 76.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -31.6 5.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.4 m-20 -63.76 -39.3 93.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.759 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.6 tp -45.29 -29.23 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -88.85 -36.89 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -50.27 147.75 7.1 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.1 Cg_endo -75.02 155.06 42.79 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 41.0 mt -73.86 -55.47 12.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 m -93.69 75.0 4.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.965 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 40.75 -161.71 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 87.5 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.03 105.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.7 p -64.93 132.08 48.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -165.24 -58.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.763 . . . . 0.0 109.976 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.91 169.35 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.031 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.77 -138.3 10.06 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t 63.34 146.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 109.986 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.1 p -134.07 153.45 51.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.21 -81.86 1.6 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.55 1.156 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.659 ' HA2' HD13 ' A' ' 12' ' ' LEU . . . -132.58 127.93 5.0 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.21 -36.99 10.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 179.68 101.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 44.15 82.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.659 HD13 ' HA2' ' A' ' 8' ' ' GLY . 0.5 OUTLIER -79.47 156.05 76.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 67.16 6.0 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 170.41 99.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.79 82.36 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.676 HG23 ' HD2' ' A' ' 17' ' ' PRO . 2.8 p -150.27 142.37 15.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.676 ' HD2' HG23 ' A' ' 16' ' ' VAL . 18.4 Cg_endo -74.99 75.79 3.59 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.485 1.782 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.6 71.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -173.86 86.06 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.6 p -121.09 149.23 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.37 144.59 46.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.64 95.79 10.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 0.0 110.259 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.54 146.16 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.84 94.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -120.03 153.69 55.32 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.745 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -74.98 176.7 9.56 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.773 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.452 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 5.1 m -140.33 127.79 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.773 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -55.12 90.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' VAL . 19.3 t-20 -42.03 132.16 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.96 -26.36 63.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.431 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -76.47 -47.03 24.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.802 HG23 ' HA ' ' A' ' 58' ' ' VAL . 18.0 mt -67.21 -34.73 71.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.2 t -74.17 -51.28 24.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.28 -33.02 40.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.516 ' NE2' HG21 ' A' ' 58' ' ' VAL . 35.5 mt-30 -73.43 -47.57 40.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.505 HD23 ' CE ' ' A' ' 39' ' ' MET . 13.3 mt -65.58 -51.41 59.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.595 HG22 ' HA ' ' A' ' 43' ' ' GLN . 71.6 t -52.83 -21.44 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.9 -39.72 12.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.505 ' CE ' HD23 ' A' ' 36' ' ' LEU . 12.2 mtm -55.56 -27.66 50.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 110.999 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.31 36.66 0.85 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 44.8 m-85 -114.32 177.52 4.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.414 ' HB2' ' ND1' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -94.09 118.5 31.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.001 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.595 ' HA ' HG22 ' A' ' 37' ' ' VAL . 56.7 tt0 -39.02 -60.57 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' GLN . 5.8 tp -40.11 -50.54 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 3.7 m170 -69.74 -48.92 57.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.561 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.441 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 71.9 m -47.38 -32.13 4.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 108.26 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.773 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 94.5 mt-30 -74.05 -59.83 2.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -49.38 -58.05 5.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.863 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -40.13 -71.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.99 -60.19 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.745 HG23 ' HG2' ' A' ' 26' ' ' PRO . 52.5 mt -46.47 -56.92 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.42 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 4.7 m-80 -48.81 -32.94 9.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.677 HG23 ' O ' ' A' ' 49' ' ' ALA . 7.2 p -107.49 27.74 8.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.349 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.42 ' C ' ' CG ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER 40.67 35.46 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.974 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.706 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 45.14 36.47 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.36 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.78 -31.99 63.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.63 159.34 23.4 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.802 ' HA ' HG23 ' A' ' 32' ' ' ILE . 53.4 t -57.63 -42.08 80.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 5.9 pt-20 -61.7 -44.23 97.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 2.3 mt-10 -61.73 -50.94 70.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.775 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.05 -58.05 8.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.871 ' HE2' HD11 ' A' ' 66' ' ' LEU . 3.4 ttp -53.98 -53.53 51.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -42.56 -46.7 4.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.69 ' CZ2' ' CG ' ' A' ' 68' ' ' HIS . 72.0 t90 -60.47 -45.85 92.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 108.004 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.863 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -57.47 -40.97 79.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.871 HD11 ' HE2' ' A' ' 62' ' ' MET . 33.5 mt -67.04 -10.34 48.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.4 t -112.33 -19.15 12.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.768 ' O ' HD13 ' A' ' 74' ' ' ILE . 35.3 m-70 -118.18 20.67 13.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.593 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -70.75 -49.56 45.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.2 p30 -102.82 54.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.738 ' O ' HG22 ' A' ' 74' ' ' ILE . 3.1 m-20 -123.97 156.11 66.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -31.24 6.42 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 76' ' ' ALA . 4.1 m-20 -64.53 -38.94 92.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.768 HD13 ' O ' ' A' ' 68' ' ' HIS . 4.0 tp -45.85 -27.96 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -90.99 -35.8 14.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -50.05 146.25 8.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.3 Cg_endo -75.01 153.76 41.95 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.497 1.788 . . . . 0.0 110.95 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 51.7 mt -74.81 -53.95 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m -143.01 72.7 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -149.9 115.03 0.69 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 57.9 4.75 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.24 166.72 27.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.6 t -144.83 79.56 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.983 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.59 143.0 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.994 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -154.28 131.06 10.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.981 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.04 -95.77 0.31 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m -135.89 128.32 30.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 110.003 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 p -129.29 170.71 13.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.97 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.26 -102.29 1.05 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 168.77 -157.52 29.66 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -172.85 -39.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 39.86 80.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 mt -48.71 159.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.744 ' C ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -52.48 150.22 9.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.605 ' N ' HD22 ' A' ' 12' ' ' LEU . 18.3 Cg_endo -75.0 -89.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -84.07 112.56 20.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.49 ' CA ' HD21 ' A' ' 12' ' ' LEU . . . -122.71 -101.04 1.57 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.712 HG13 ' HD2' ' A' ' 17' ' ' PRO . 76.9 t -81.73 142.91 49.7 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.444 0.732 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.712 ' HD2' HG13 ' A' ' 16' ' ' VAL . 18.2 Cg_endo -75.02 55.97 4.12 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 60.63 121.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -173.04 99.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.6 p -174.34 142.21 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.77 157.99 35.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.23 139.75 8.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.2 p -167.73 159.6 11.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 56.3 82.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -157.17 151.87 20.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.825 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -75.01 177.49 8.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.457 1.767 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' ASN . 4.1 m -140.58 124.46 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.821 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -52.63 91.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 27' ' ' VAL . 16.8 t-20 -40.07 131.51 1.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -68.64 -27.52 66.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.401 ' CB ' ' OD1' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -75.44 -51.92 11.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.841 HG23 ' HA ' ' A' ' 58' ' ' VAL . 19.7 mt -60.26 -38.75 78.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.593 ' O ' HG23 ' A' ' 37' ' ' VAL . 27.5 t -72.55 -44.52 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.457 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -59.14 -30.01 67.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -77.25 -45.19 27.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.514 HD11 ' CB ' ' A' ' 61' ' ' ALA . 14.2 mt -67.78 -47.78 68.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 33' ' ' VAL . 83.8 t -57.12 -18.13 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.35 -38.57 11.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.99 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.432 ' CE ' ' CG1' ' A' ' 58' ' ' VAL . 13.0 mtm -58.95 -25.82 63.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.86 41.45 0.66 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.445 1.09 . . . . 0.0 110.977 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.443 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 54.7 m-85 -119.5 174.13 6.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.411 ' OG ' ' ND1' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -91.01 118.21 30.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.001 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.581 ' HA ' HG22 ' A' ' 37' ' ' VAL . 56.9 tt0 -39.12 -60.85 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' GLN . 5.1 tp -40.04 -52.75 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 3.6 m170 -66.8 -50.3 63.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.618 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.443 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 75.4 m -45.26 -36.35 3.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 108.353 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.821 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 87.5 mt-30 -69.1 -60.15 2.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 49' ' ' ALA . 24.6 mttt -48.92 -58.75 4.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.782 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -38.77 -71.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -43.48 -60.06 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.825 HG23 ' HG2' ' A' ' 26' ' ' PRO . 57.9 mt -46.76 -57.59 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.426 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 6.8 m-80 -49.09 -24.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' ALA . 41.3 p -117.18 30.88 7.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.406 ' C ' ' CG ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER 39.87 32.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.614 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 47.07 38.99 7.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.54 -41.64 77.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.52 149.51 11.13 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.841 ' HA ' HG23 ' A' ' 32' ' ' ILE . 57.9 t -46.13 -47.38 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.2 pt-20 -55.4 -44.32 76.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.6 mt-10 -61.94 -51.17 69.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.759 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.67 -57.89 8.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.863 ' HE2' HD11 ' A' ' 66' ' ' LEU . 2.8 ttp -53.95 -53.49 52.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -43.07 -46.6 5.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.652 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 73.6 t90 -60.64 -44.96 95.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 107.997 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.782 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -58.46 -42.71 88.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.353 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.863 HD11 ' HE2' ' A' ' 62' ' ' MET . 36.5 mt -63.98 -12.42 37.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.27 -8.93 12.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.771 ' O ' HD13 ' A' ' 74' ' ' ILE . 14.7 m-70 -131.46 29.3 4.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.624 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -81.7 -45.42 15.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -102.72 57.14 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.765 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.0 OUTLIER -126.19 155.67 73.38 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -31.61 6.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.436 1.756 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.2 OUTLIER -64.92 -37.86 89.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.771 HD13 ' O ' ' A' ' 68' ' ' HIS . 4.0 tp -47.51 -25.11 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 73' ' ' ASP . 0.1 OUTLIER -91.33 -35.48 14.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -54.13 147.18 27.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.4 Cg_endo -75.0 154.62 42.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.802 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 21.1 mt -70.99 -48.17 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.52 78.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.036 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -90.64 166.61 31.68 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.562 1.164 . . . . 0.0 110.984 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 83.82 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.1 t -56.25 138.25 50.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.6 t -157.67 -59.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.031 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 0.0 111.028 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 p -126.07 101.74 6.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 110.03 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.09 161.26 23.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.976 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.13 154.89 19.91 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.459 1.1 . . . . 0.0 111.036 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 t -129.8 108.0 9.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 110.048 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.26 94.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.21 -162.63 32.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.25 151.66 10.82 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.51 105.84 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.782 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -133.6 104.02 6.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.344 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 64.3 128.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 tp -113.47 112.93 48.5 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 132.64 15.61 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.547 1.814 . . . . 0.0 111.002 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -124.17 -49.86 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -158.6 69.66 0.26 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 35.4 m -145.71 154.68 52.24 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.486 0.756 . . . . 0.0 109.321 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 64.42 6.12 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -159.5 134.44 8.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -179.49 74.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.2 p -157.51 147.48 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.85 166.64 15.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -162.45 94.6 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.2 p -160.04 166.81 29.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.0 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.43 99.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -127.46 154.77 77.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.691 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.99 176.36 10.01 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.451 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 6.3 m -142.22 129.54 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.757 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -56.6 90.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.575 ' O ' HG23 ' A' ' 33' ' ' VAL . 15.8 t-20 -41.62 135.81 2.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 4.8 mt-10 -70.26 -27.65 64.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -51.52 11.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.785 HD12 ' HB3' ' A' ' 55' ' ' ASN . 17.3 mt -61.47 -38.79 80.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.647 ' O ' HG23 ' A' ' 37' ' ' VAL . 56.8 t -71.72 -43.73 69.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -60.71 -32.51 71.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -74.36 -44.54 51.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.545 HD11 ' CB ' ' A' ' 61' ' ' ALA . 14.5 mt -69.39 -49.98 50.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 33' ' ' VAL . 81.8 t -54.77 -19.93 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.25 -39.97 11.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.469 ' CE ' HD23 ' A' ' 36' ' ' LEU . 12.2 mtm -54.44 -27.04 34.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.38 37.61 0.84 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.434 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 42.1 m-85 -113.89 -174.15 2.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.766 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -103.04 118.04 35.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.617 ' HA ' HG22 ' A' ' 37' ' ' VAL . 50.2 tt0 -38.18 -60.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.266 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 tp -39.98 -52.01 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.599 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 3.8 m170 -68.98 -49.32 58.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.613 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.434 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 73.7 m -47.19 -30.99 3.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 108.288 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.757 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 32.2 mt-30 -75.34 -59.7 2.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.455 ' CG ' HG12 ' A' ' 78' ' ' ILE . 25.7 mttt -49.56 -55.2 14.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.853 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -43.95 -70.23 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -44.54 -60.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.691 HG23 ' HG2' ' A' ' 26' ' ' PRO . 56.3 mt -46.24 -55.3 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.46 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 5.1 m-80 -48.37 -33.23 8.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 49' ' ' ALA . 17.8 p -108.02 27.55 9.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.387 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.87 28.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.785 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 53.04 35.67 20.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.601 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . . . -52.96 -43.23 66.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.71 155.58 25.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.143 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.737 ' HA ' HG23 ' A' ' 32' ' ' ILE . 40.2 t -53.09 -40.68 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 3.9 pt-20 -63.0 -43.24 99.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.601 ' OE1' ' HB3' ' A' ' 56' ' ' ALA . 0.3 OUTLIER -61.78 -51.47 68.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.794 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.41 -58.26 7.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.872 ' HE2' HD11 ' A' ' 66' ' ' LEU . 2.9 ttp -54.0 -53.24 55.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -43.61 -45.4 6.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.652 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 67.4 t90 -61.69 -44.39 97.04 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.853 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -58.56 -43.62 89.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.872 HD11 ' HE2' ' A' ' 62' ' ' MET . 26.1 mt -65.27 -11.52 42.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.01 -11.89 13.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 110.003 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.77 ' O ' HD13 ' A' ' 74' ' ' ILE . 15.1 m-70 -130.05 29.37 4.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.596 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -79.69 -45.3 19.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -103.43 63.45 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.791 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.5 OUTLIER -132.85 156.11 80.44 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -30.71 6.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.5 OUTLIER -66.14 -39.18 89.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.791 HG22 ' O ' ' A' ' 71' ' ' ASP . 4.1 tp -47.58 -25.65 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.4 -34.21 14.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -55.73 145.68 50.2 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 152.18 40.3 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.48 1.779 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.455 HG12 ' CG ' ' A' ' 48' ' ' LYS . 92.9 mt -71.03 -54.3 18.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 97.7 p -155.44 71.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -165.86 135.78 3.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 179.71 5.83 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 m -163.77 111.01 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 87.0 p -52.09 155.22 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -162.85 -68.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.983 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -169.1 170.48 8.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.979 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.27 176.73 19.83 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.91 165.31 11.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.93 145.87 37.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.48 155.66 6.7 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.123 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 9' ' ' GLU . . . 152.77 -97.65 0.17 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 1.8 tm-20 81.59 -72.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 0.733 . . . . 0.0 110.264 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 68.69 150.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 79.08 121.69 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -105.16 154.76 38.6 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -58.25 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 0.0 111.004 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -41.63 117.7 0.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 166.13 -71.25 0.18 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 16' ' ' VAL . 14.5 p -49.47 106.57 0.64 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.423 0.72 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.34 21.57 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.01 176.69 8.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -78.65 70.4 4.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 t -92.98 35.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.29 143.34 18.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -178.62 176.29 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.81 101.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.035 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -176.29 102.02 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -107.68 149.46 38.96 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.881 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.02 179.02 6.5 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.527 1.804 . . . . 0.0 111.024 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' ASN . 3.8 m -139.63 123.62 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.846 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -53.3 91.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.471 ' O ' HG23 ' A' ' 33' ' ' VAL . 16.5 t-20 -39.6 128.14 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -25.13 63.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' CB ' ' OD1' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -76.45 -42.83 42.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.817 HG23 ' HA ' ' A' ' 58' ' ' VAL . 13.6 mt -71.83 -34.55 51.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 37' ' ' VAL . 44.0 t -74.57 -51.92 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.1 -35.12 46.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.539 ' OE1' HG21 ' A' ' 58' ' ' VAL . 42.5 mt-30 -71.23 -48.98 48.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.324 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.66 HD11 ' CB ' ' A' ' 61' ' ' ALA . 10.0 mt -63.83 -57.32 10.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.635 HG22 ' HA ' ' A' ' 43' ' ' GLN . 90.8 t -46.07 -26.13 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -82.99 -42.08 17.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.03 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.458 ' CE ' ' CG1' ' A' ' 58' ' ' VAL . 11.7 mtm -54.89 -29.42 55.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.74 41.23 0.5 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.433 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 52.6 m-85 -118.46 175.26 5.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 0.764 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.476 ' HB2' ' CG ' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -91.99 118.03 30.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.635 ' HA ' HG22 ' A' ' 37' ' ' VAL . 58.9 tt0 -38.42 -62.49 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 tp -40.75 -51.07 3.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 7.2 m170 -65.15 -52.35 55.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.556 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.624 ' HA ' HD11 ' A' ' 65' ' ' LEU . 73.4 m -45.87 -40.85 10.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 108.342 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.846 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 94.5 mt-30 -63.45 -59.23 4.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.408 ' CG ' HG12 ' A' ' 78' ' ' ILE . 28.3 mttt -50.82 -58.52 5.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.826 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -40.17 -71.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -43.1 -59.02 2.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.881 HG23 ' HG2' ' A' ' 26' ' ' PRO . 62.8 mt -47.66 -58.41 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.56 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 11.2 m-80 -49.53 -23.7 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 49' ' ' ALA . 31.9 p -117.56 30.0 7.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER 37.53 36.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.017 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.737 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.1 OUTLIER 42.21 44.04 3.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.37 -35.13 76.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.36 153.02 12.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.817 ' HA ' HG23 ' A' ' 32' ' ' ILE . 75.8 t -50.81 -42.19 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.5 pt-20 -60.13 -45.17 93.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.478 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.1 mt-10 -60.9 -48.94 79.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.826 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.39 -56.02 20.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.3 ttm -57.51 -51.19 70.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -46.38 -38.85 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.651 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 53.7 t90 -70.01 -38.82 76.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 107.994 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.822 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 1.2 mt -65.21 -40.93 94.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.5 mt -68.81 -9.2 49.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 t -113.43 -18.4 12.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.056 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.865 ' O ' HD13 ' A' ' 74' ' ' ILE . 26.8 m-70 -119.61 19.1 12.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.599 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -70.93 -45.32 64.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -104.29 60.36 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.785 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -132.3 155.42 81.3 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -31.34 6.28 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.5 m-20 -64.12 -38.99 93.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.865 HD13 ' O ' ' A' ' 68' ' ' HIS . 4.4 tp -45.3 -29.17 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.12 -36.25 14.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -48.94 147.09 4.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.4 Cg_endo -75.0 154.96 42.87 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.449 1.763 . . . . 0.0 111.036 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.408 HG12 ' CG ' ' A' ' 48' ' ' LYS . 73.5 mt -77.07 -53.07 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.62 67.23 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.034 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.08 179.02 26.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.02 9.14 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.481 1.779 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.37 -60.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.3 t -71.21 -59.31 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.968 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.45 1.094 . . . . 0.0 111.015 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -119.54 138.31 53.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.033 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 m -163.04 157.9 21.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.17 62.38 0.31 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 m -157.08 150.0 23.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 110.016 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -124.34 162.51 23.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.0 -141.8 8.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -109.03 161.78 13.02 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.91 -44.84 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 0.792 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -98.28 134.54 41.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.774 HD23 ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -161.05 127.97 4.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.663 HD12 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -174.15 153.27 1.96 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.613 ' HD2' HD23 ' A' ' 12' ' ' LEU . 18.3 Cg_endo -75.0 166.41 29.26 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.13 91.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.16 90.21 1.4 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 12.9 p -55.77 135.0 72.39 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.783 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 16' ' ' VAL . 18.4 Cg_endo -74.98 115.52 4.31 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.93 128.95 39.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.98 54.69 3.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.5 p -170.47 149.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.83 146.07 29.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -174.13 67.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m 40.04 79.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.36 106.73 2.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -110.71 151.81 43.09 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.757 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.95 177.16 8.95 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.453 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 5.8 m -141.74 126.44 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.814 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -53.91 91.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.67 ' O ' HG23 ' A' ' 33' ' ' VAL . 14.6 t-20 -42.45 132.54 3.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -69.05 -27.93 66.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.263 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -51.95 12.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.72 HD12 ' CB ' ' A' ' 55' ' ' ASN . 24.5 mt -60.14 -40.66 84.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 29' ' ' ASN . 88.9 t -70.41 -45.26 75.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -58.05 -32.88 68.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -74.02 -47.23 38.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.705 HD11 ' CB ' ' A' ' 61' ' ' ALA . 14.2 mt -65.22 -55.55 17.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.621 HG22 ' HA ' ' A' ' 43' ' ' GLN . 78.6 t -48.49 -24.41 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -84.74 -41.9 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.031 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.445 ' HE1' HD23 ' A' ' 36' ' ' LEU . 11.1 mtm -55.02 -29.51 57.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.76 40.86 0.55 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.434 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 52.5 m-85 -118.01 174.35 6.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.419 ' HB2' ' ND1' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -89.84 117.28 28.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.621 ' HA ' HG22 ' A' ' 37' ' ' VAL . 54.7 tt0 -38.59 -61.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 tp -40.42 -54.79 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 4.1 m170 -63.07 -52.05 64.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.62 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.49 ' HA ' HD11 ' A' ' 65' ' ' LEU . 71.4 m -44.46 -41.05 6.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 108.268 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.814 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 87.3 mt-30 -63.52 -59.88 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HE2' ' CG1' ' A' ' 78' ' ' ILE . 17.4 mttm -49.86 -59.05 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.827 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -38.88 -71.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -42.97 -60.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.757 HG23 ' HG2' ' A' ' 26' ' ' PRO . 58.0 mt -47.09 -56.96 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.568 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 8.1 m-80 -49.38 -25.69 2.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.1 p -115.55 28.88 8.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.378 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.426 ' C ' ' CG ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER 40.77 33.48 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.007 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.72 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 47.15 37.23 5.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.69 -41.56 67.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.43 160.44 33.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.717 ' HA ' HG23 ' A' ' 32' ' ' ILE . 29.0 t -57.47 -44.49 84.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.451 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.2 pt-20 -59.91 -42.96 95.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.451 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.8 mt-10 -61.25 -48.52 81.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.827 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.06 -55.57 22.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.4 ttm -57.96 -51.69 68.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -44.93 -40.12 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.657 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 65.4 t90 -67.77 -41.97 82.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 108.003 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.753 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 1.1 mt -61.52 -43.77 98.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.9 mt -65.36 -11.31 40.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -112.98 -12.81 13.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.029 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.778 ' O ' HD13 ' A' ' 74' ' ' ILE . 12.5 m-70 -130.03 30.54 4.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.57 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -82.23 -42.35 19.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.956 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -104.85 59.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.702 ' O ' HG22 ' A' ' 74' ' ' ILE . 3.0 m-20 -129.47 155.33 80.33 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -31.42 6.29 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.486 1.782 . . . . 0.0 111.004 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.1 m-20 -64.24 -39.41 93.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.778 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.7 tp -45.94 -27.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 73' ' ' ASP . 27.2 m-20 -90.18 -37.11 14.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -50.31 146.97 8.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.2 Cg_endo -75.03 150.38 37.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.416 ' CG1' ' HE2' ' A' ' 48' ' ' LYS . 27.8 mt -68.1 -52.32 39.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.2 m -149.3 81.22 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -162.02 170.92 37.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.28 14.77 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 84.0 p -146.13 142.06 28.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.19 108.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.021 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -178.97 169.3 1.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 0.757 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.13 159.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.961 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.64 -79.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.7 85.09 2.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.763 . . . . 0.0 109.96 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -85.29 109.51 18.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.49 -132.93 3.25 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 151.1 -28.07 1.0 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -112.7 28.03 9.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -39.22 133.5 1.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mp -92.35 178.57 5.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.24 157.9 33.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 167.72 26.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.61 95.85 5.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -92.38 83.38 1.15 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.667 HG13 ' HD2' ' A' ' 17' ' ' PRO . 72.9 t -55.49 142.48 60.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.667 ' HD2' HG13 ' A' ' 16' ' ' VAL . 18.5 Cg_endo -74.97 65.68 6.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.496 1.787 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.79 145.87 49.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.5 56.1 3.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.6 t 63.56 150.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.246 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.1 mtt -80.76 172.96 13.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -91.68 57.59 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.454 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 4.0 t 178.68 97.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.061 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 23' ' ' SER . . . 177.95 102.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -107.13 150.93 40.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.708 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.03 176.34 10.05 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.453 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 4.3 m -139.99 131.03 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.79 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -59.25 89.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -42.05 126.47 3.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.53 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 7.2 mt-10 -66.49 -24.23 66.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.339 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.77 -47.63 18.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.253 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.809 HG23 ' HA ' ' A' ' 58' ' ' VAL . 17.0 mt -66.41 -39.51 84.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.6 t -71.28 -50.13 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -51.91 -31.34 28.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.426 ' NE2' HG21 ' A' ' 58' ' ' VAL . 34.9 mt-30 -75.97 -46.81 27.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.574 HD23 ' HE1' ' A' ' 39' ' ' MET . 8.3 mt -65.69 -55.54 16.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' A' ' 43' ' ' GLN . 74.1 t -48.6 -24.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -85.17 -40.85 16.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.574 ' HE1' HD23 ' A' ' 36' ' ' LEU . 11.3 mtm -55.78 -28.58 56.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.996 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.3 41.46 0.58 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.092 . . . . 0.0 111.034 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.431 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 50.0 m-85 -117.92 172.87 7.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.478 ' HB2' ' CG ' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -89.9 115.31 27.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.984 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.493 ' HA ' HG22 ' A' ' 37' ' ' VAL . 49.7 tt0 -39.04 -63.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' GLN . 6.3 tp -39.24 -42.07 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.586 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 8.2 m170 -75.97 -49.44 17.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.616 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.655 ' HA ' HD11 ' A' ' 65' ' ' LEU . 97.2 m -48.81 -40.7 30.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 108.309 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.79 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 35.5 mt-30 -62.81 -57.5 10.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -52.89 -58.14 7.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.85 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -40.19 -72.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -43.29 -61.99 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.708 HG23 ' HG2' ' A' ' 26' ' ' PRO . 59.2 mt -45.08 -57.29 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.523 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 3.2 m-80 -49.01 -31.53 7.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' ALA . 3.1 p -107.9 26.62 10.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.84 27.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.753 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 53.21 34.24 17.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.72 -45.02 48.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.09 152.24 18.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.428 1.08 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.809 ' HA ' HG23 ' A' ' 32' ' ' ILE . 57.5 t -48.12 -45.66 12.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.477 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.8 pt-20 -57.94 -45.0 87.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.477 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -61.71 -48.47 80.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.85 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.04 -54.83 29.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.138 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.5 ttm -58.83 -50.82 72.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -45.97 -39.07 8.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.655 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 52.7 t90 -68.44 -41.07 80.83 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.846 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 1.2 mt -62.64 -43.67 98.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.3 mt -67.58 -9.82 46.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.86 -5.66 12.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.824 ' O ' HD13 ' A' ' 74' ' ' ILE . 22.6 m-70 -132.47 20.09 4.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.624 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -75.05 -40.74 60.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.973 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -104.55 60.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.833 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -132.81 154.71 81.54 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.3 4.71 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.802 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 76' ' ' ALA . 2.7 m-20 -63.97 -38.32 90.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.833 HG22 ' O ' ' A' ' 71' ' ' ASP . 4.5 tp -46.12 -27.73 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.28 -36.77 15.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -49.91 145.05 9.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.2 Cg_endo -75.0 153.7 41.94 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.452 1.764 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 26.1 mt -74.38 -50.49 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.1 t -111.47 106.18 14.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 110.028 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -37.88 121.18 0.94 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.117 . . . . 0.0 111.024 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 157.18 42.85 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.507 1.793 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.9 m -156.18 173.1 17.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 110.017 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 m -101.31 132.87 46.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.973 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 p -93.59 139.56 30.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 0.794 . . . . 0.0 109.999 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 p -137.84 94.71 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.4 -177.27 42.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.547 1.155 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.0 t -121.13 129.79 53.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.59 85.4 1.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.46 132.19 2.6 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.41 -132.05 5.09 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.81 -39.62 94.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.794 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 44.84 77.49 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.86 145.79 28.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.658 HD12 ' O ' ' A' ' 13' ' ' PRO . 4.1 pp -78.04 154.61 80.18 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.658 ' O ' HD12 ' A' ' 12' ' ' LEU . 18.2 Cg_endo -75.03 167.97 25.85 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 178.23 90.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -158.4 60.67 0.32 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 16' ' ' VAL . 14.2 p -52.27 107.59 0.87 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 66.81 6.02 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.55 1.816 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -41.89 153.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 20' ' ' VAL . 0.6 OUTLIER -126.42 68.72 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.432 HG13 ' N ' ' A' ' 21' ' ' MET . 0.4 OUTLIER 55.51 168.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.432 ' N ' HG13 ' A' ' 20' ' ' VAL . 7.7 ttt -78.36 120.75 23.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -153.6 157.99 40.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.94 90.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.519 ' O ' ' CB ' ' A' ' 25' ' ' GLN . . . -134.55 51.81 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER 88.41 152.55 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.894 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.5 Cg_endo -74.98 177.91 7.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 0.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' ASN . 3.8 m -140.21 123.83 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.825 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -53.28 91.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' VAL . 13.9 t-20 -39.07 130.13 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -69.94 -25.42 63.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.81 -47.24 26.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.802 HG23 ' HA ' ' A' ' 58' ' ' VAL . 17.3 mt -66.73 -38.37 81.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.558 ' O ' HG23 ' A' ' 37' ' ' VAL . 25.0 t -71.45 -46.33 64.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -58.55 -27.58 64.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.477 ' NE2' HG21 ' A' ' 58' ' ' VAL . 30.2 mt-30 -79.49 -43.84 22.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.619 HD11 ' CB ' ' A' ' 61' ' ' ALA . 16.3 mt -69.49 -48.25 61.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.623 HG22 ' HA ' ' A' ' 43' ' ' GLN . 81.4 t -55.01 -20.93 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.46 -39.85 11.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.979 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.446 ' CE ' ' CG1' ' A' ' 58' ' ' VAL . 11.7 mtm -56.45 -26.86 55.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.44 37.64 0.78 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 53.6 m-85 -115.97 174.79 5.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.416 ' HB2' ' ND1' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -92.31 117.99 30.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.993 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.623 ' HA ' HG22 ' A' ' 37' ' ' VAL . 55.5 tt0 -38.06 -60.66 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tp -41.31 -52.74 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 7.5 m170 -65.78 -51.06 62.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.622 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.441 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 79.2 m -44.36 -37.44 3.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.825 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 83.9 mt-30 -68.59 -59.82 2.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.46 ' HE2' ' CG1' ' A' ' 78' ' ' ILE . 19.7 mttt -49.33 -55.36 13.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.815 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -43.1 -69.09 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -45.27 -60.4 2.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.894 HG23 ' HG2' ' A' ' 26' ' ' PRO . 58.4 mt -46.52 -57.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.557 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 7.0 m-80 -48.1 -25.04 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 49' ' ' ALA . 12.3 p -119.33 32.44 6.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER 36.99 34.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.984 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.742 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.2 OUTLIER 41.77 44.74 2.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.468 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . . . -64.27 -28.98 70.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.17 148.59 7.81 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.802 ' HA ' HG23 ' A' ' 32' ' ' ILE . 92.8 t -48.11 -43.81 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.425 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 3.2 pt-20 -58.24 -41.74 84.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.468 ' OE1' ' HB3' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -63.36 -50.18 70.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.815 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.27 -55.36 25.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.459 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.4 ttm -57.8 -51.84 67.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -45.22 -40.68 7.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.088 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.65 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 74.8 t90 -67.3 -41.4 85.45 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.682 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -63.54 -41.81 98.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.5 mt -64.96 -11.61 40.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.0 m -116.63 -9.66 11.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.809 ' O ' HD13 ' A' ' 74' ' ' ILE . 11.0 m-70 -130.26 27.7 5.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.581 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -76.5 -42.31 43.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -112.06 59.69 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.637 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -122.12 156.17 60.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.405 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 18.3 Cg_endo -75.01 -14.69 21.05 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.461 1.769 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 76' ' ' ALA . 4.1 m-20 -83.86 -39.08 20.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.809 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.9 tp -46.17 -30.02 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 72' ' ' PRO . 2.3 p30 -89.17 -34.38 16.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -53.5 146.95 22.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.2 Cg_endo -74.99 153.74 42.02 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.464 1.771 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.46 ' CG1' ' HE2' ' A' ' 48' ' ' LYS . 38.8 mt -72.32 -53.56 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.11 77.36 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.64 168.03 33.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -50.88 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.5 1.789 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.4 t -136.79 -58.18 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.4 103.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.78 93.39 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.942 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.72 96.6 1.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.95 -121.07 2.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.0 p -175.72 126.2 0.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 0.732 . . . . 0.0 110.014 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -153.44 91.15 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.057 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.01 144.68 4.55 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.92 153.23 1.59 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -108.61 117.82 35.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 110.321 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.61 101.23 2.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -176.77 80.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mt -174.8 102.54 0.27 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 132.63 15.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.2 t70 174.29 104.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.44 74.23 0.24 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 m -148.43 155.39 42.37 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.512 0.772 . . . . 0.0 109.264 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 58.74 4.94 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 41.66 -161.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -123.81 55.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.733 HG12 ' O ' ' A' ' 20' ' ' VAL . 80.9 t -131.65 34.8 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.2 mtt -150.51 173.14 14.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -48.85 176.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.253 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.4 t -39.48 116.58 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.517 ' O ' ' CB ' ' A' ' 25' ' ' GLN . . . -115.3 78.65 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.517 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 0.6 OUTLIER 87.72 151.37 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.687 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.0 176.68 9.6 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.54 1.811 . . . . 0.0 111.051 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 15.4 m -139.65 133.56 37.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.842 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -62.61 88.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.472 ' O ' HG23 ' A' ' 33' ' ' VAL . 18.2 t-20 -40.59 139.83 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 4.3 mp0 -76.05 -24.8 55.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.32 -49.16 14.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.802 HD12 ' HB3' ' A' ' 55' ' ' ASN . 12.3 mt -63.86 -36.78 77.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.518 ' O ' HG23 ' A' ' 37' ' ' VAL . 46.6 t -74.31 -53.25 17.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -51.52 -29.18 15.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -77.35 -45.79 24.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.487 HD11 ' HB3' ' A' ' 61' ' ' ALA . 12.2 mt -68.19 -45.38 73.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.641 HG22 ' HA ' ' A' ' 43' ' ' GLN . 96.1 t -58.48 -17.52 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.67 -41.42 11.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.48 ' HE1' HD23 ' A' ' 36' ' ' LEU . 21.3 mtm -57.25 -14.76 4.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.0 31.55 4.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.436 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 5.4 m-85 -102.91 -175.17 2.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.444 ' HB2' ' CG ' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -102.93 117.09 33.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.641 ' HA ' HG22 ' A' ' 37' ' ' VAL . 46.6 tt0 -38.04 -61.07 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.0 tp -40.62 -55.63 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.558 ' CD2' HG13 ' A' ' 74' ' ' ILE . 3.3 m170 -63.59 -51.35 65.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.587 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 73.4 m -45.6 -37.51 5.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 108.338 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.842 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 34.1 mt-30 -68.65 -60.21 2.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' ALA . 28.0 mttt -48.89 -59.57 3.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.827 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -38.89 -72.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -42.01 -59.58 1.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.687 HG23 ' HG2' ' A' ' 26' ' ' PRO . 56.7 mt -47.63 -55.42 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.494 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 3.9 m-80 -49.7 -27.9 5.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.2 p -112.81 25.52 11.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 110.412 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 44.61 27.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.802 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 54.89 36.37 26.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.527 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . . . -54.56 -39.31 67.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.59 148.11 8.55 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.8 ' HA ' HG23 ' A' ' 32' ' ' ILE . 99.8 t -44.77 -50.95 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.763 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.443 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 3.4 pt-20 -53.38 -42.79 67.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.527 ' OE1' ' HB3' ' A' ' 56' ' ' ALA . 0.2 OUTLIER -63.63 -51.22 66.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.774 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.26 -56.91 11.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.816 ' HE2' HD11 ' A' ' 66' ' ' LEU . 2.9 ttp -54.86 -53.0 61.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -43.2 -46.27 5.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.649 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 69.6 t90 -60.81 -44.81 96.4 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.827 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -58.55 -43.55 89.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.816 HD11 ' HE2' ' A' ' 62' ' ' MET . 36.1 mt -62.54 -13.27 28.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.81 -13.96 13.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.019 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.783 ' O ' HD13 ' A' ' 74' ' ' ILE . 14.3 m-70 -127.5 32.36 5.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.594 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -84.07 -42.58 15.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.973 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -104.4 46.89 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.709 ' O ' HG22 ' A' ' 74' ' ' ILE . 2.7 m-20 -114.62 155.34 46.21 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -32.51 5.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 110.995 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 76' ' ' ALA . 2.6 m-20 -63.51 -38.01 89.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.783 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.8 tp -45.68 -28.57 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -88.78 -37.15 15.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.143 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -50.94 146.75 9.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.3 Cg_endo -75.03 151.54 39.51 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 70.1 mt -71.06 -52.37 27.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.6 m -156.72 75.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.031 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 65.12 -166.25 33.39 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 139.83 24.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 0.0 110.955 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.2 m -96.45 135.88 37.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.3 p -65.29 126.67 28.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.941 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 t -173.59 124.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 0.797 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -138.82 -57.77 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.948 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.44 -175.4 34.37 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 p -171.28 163.06 7.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 0.799 . . . . 0.0 109.957 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 m 55.46 105.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.62 -159.99 31.96 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.85 117.86 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -148.53 -45.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -62.97 127.44 31.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.26 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.87 118.33 20.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.724 ' C ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -52.24 151.14 7.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.608 ' N ' HD22 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -75.06 128.13 11.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.36 95.19 4.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.67 85.46 0.73 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.8 p -73.55 138.53 77.56 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 149.93 37.32 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.411 ' O ' ' CB ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -110.13 140.18 44.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' A' ' 18' ' ' GLU . 1.5 mt-10 166.87 125.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.55 87.12 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -134.28 8.82 3.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -124.37 140.34 53.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.357 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.0 t -102.48 120.49 40.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -175.24 87.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -122.17 153.17 61.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.788 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.01 177.62 8.35 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 29' ' ' ASN . 5.9 m -143.17 124.26 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.681 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -50.83 93.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.647 ' O ' HG23 ' A' ' 33' ' ' VAL . 18.5 t-20 -44.15 135.32 4.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -70.36 -21.6 62.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 110.338 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.69 -53.53 6.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.874 HD12 ' HB3' ' A' ' 55' ' ' ASN . 6.9 mt -60.88 -38.13 78.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 29' ' ' ASN . 83.9 t -71.76 -46.93 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -58.59 -31.58 68.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -74.54 -40.53 61.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.649 HD11 ' CB ' ' A' ' 61' ' ' ALA . 16.4 mt -73.39 -52.93 12.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.64 HG22 ' HA ' ' A' ' 43' ' ' GLN . 93.3 t -52.0 -21.95 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.11 -41.59 13.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.989 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.407 ' CE ' HD23 ' A' ' 36' ' ' LEU . 12.7 mtm -55.08 -27.1 42.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.81 37.09 0.85 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.433 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 52.1 m-85 -112.87 177.01 4.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.763 . . . . 0.0 111.03 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.423 ' OG ' ' ND1' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -93.91 116.71 29.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.64 ' HA ' HG22 ' A' ' 37' ' ' VAL . 57.9 tt0 -37.31 -61.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 tp -40.42 -54.75 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 3.7 m170 -63.88 -51.54 64.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.581 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.433 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 71.5 m -44.03 -38.36 3.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 108.292 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.681 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 84.0 mt-30 -68.52 -60.5 2.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -48.4 -52.54 21.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.862 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -49.87 -68.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.774 ' HB1' ' OD1' ' A' ' 55' ' ' ASN . . . -44.82 -60.13 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.788 HG23 ' HG2' ' A' ' 26' ' ' PRO . 62.6 mt -49.34 -54.94 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.53 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 3.1 m-80 -47.22 -29.26 2.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 55' ' ' ASN . 38.6 p -113.55 34.3 4.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.377 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 51' ' ' ILE . 0.3 OUTLIER 38.02 30.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.874 ' HB3' HD12 ' A' ' 32' ' ' ILE . 7.9 m-80 45.24 45.99 9.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.624 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . . . -65.31 -33.97 77.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.51 154.39 16.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.762 ' HA ' HG23 ' A' ' 32' ' ' ILE . 76.1 t -50.95 -46.6 30.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.1 pt-20 -56.6 -44.18 80.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.354 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.624 ' OE1' ' HB3' ' A' ' 56' ' ' ALA . 0.3 OUTLIER -61.04 -50.24 74.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.791 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.22 -57.18 11.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.7 ttm -55.98 -52.27 64.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.1 -43.54 4.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.652 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 72.4 t90 -65.2 -43.93 89.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 108.04 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.862 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -60.27 -42.13 94.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.1 mt -64.93 -11.55 39.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -114.08 -14.4 12.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.793 ' O ' HD13 ' A' ' 74' ' ' ILE . 13.5 m-70 -127.76 31.13 5.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.543 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -82.59 -43.01 17.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -104.81 56.68 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.73 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.2 m-20 -126.16 155.65 73.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -31.63 6.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.6 OUTLIER -64.03 -39.17 93.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.793 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.8 tp -46.54 -25.83 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 73' ' ' ASP . 60.8 m-20 -90.56 -36.69 14.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -52.63 145.28 21.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 154.99 42.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.8 mt -75.11 -53.84 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.65 75.65 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.82 164.79 48.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 60.33 5.41 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.498 1.788 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.1 t 58.18 86.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.5 p -106.78 124.87 50.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.441 1.088 . . . . 0.0 111.004 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.12 147.81 2.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 m -122.87 135.38 54.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.28 155.83 16.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.438 1.086 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.31 161.24 26.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.748 . . . . 0.0 110.023 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.91 103.9 5.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.41 137.53 49.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 10' ' ' GLU . . . -64.75 -73.1 0.61 Allowed Glycine 0 CA--C 1.531 1.06 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 68.92 -63.27 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 0.785 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 8' ' ' GLY . 11.5 mt-10 66.6 134.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 mp -82.24 179.86 7.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mp -100.14 108.84 54.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.236 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 167.45 27.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.538 1.809 . . . . 0.0 111.006 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.32 96.19 5.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.16 -64.23 0.78 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.718 HG22 ' HD2' ' A' ' 17' ' ' PRO . 0.5 OUTLIER 60.71 150.85 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.791 . . . . 0.0 109.254 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.718 ' HD2' HG22 ' A' ' 16' ' ' VAL . 18.2 Cg_endo -75.08 56.2 4.23 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.461 1.769 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -177.73 48.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.273 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.73 114.08 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.251 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.7 p -172.82 148.16 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.4 mtp -97.65 173.33 7.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.05 144.1 20.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.45 84.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.509 ' O ' ' CB ' ' A' ' 25' ' ' GLN . . . -128.09 83.8 2.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.359 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.509 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 0.4 OUTLIER 86.79 146.32 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.263 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.782 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.03 177.16 8.96 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.516 1.798 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' ASN . 4.7 m -141.2 125.82 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.806 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -53.19 91.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.508 ' O ' HG23 ' A' ' 33' ' ' VAL . 16.5 t-20 -42.25 130.27 3.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 5.4 mt-10 -69.26 -26.72 64.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -49.55 17.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.112 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.778 HG23 ' HA ' ' A' ' 58' ' ' VAL . 15.4 mt -64.33 -38.47 82.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.586 ' O ' HG23 ' A' ' 37' ' ' VAL . 56.1 t -71.6 -47.54 57.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -57.21 -33.04 67.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -73.51 -48.06 36.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.522 ' HA ' ' HE3' ' A' ' 39' ' ' MET . 6.7 mt -65.51 -55.79 15.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.65 HG22 ' HA ' ' A' ' 43' ' ' GLN . 89.0 t -46.65 -25.64 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -77.25 -41.02 42.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.032 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.522 ' HE3' ' HA ' ' A' ' 36' ' ' LEU . 16.7 mtt -56.82 -29.93 63.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.09 -11.67 5.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.423 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 45.6 m-85 -59.37 174.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -96.83 117.32 30.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.034 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.65 ' HA ' HG22 ' A' ' 37' ' ' VAL . 54.2 tt0 -35.09 -60.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.2 tp -40.51 -49.6 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.545 ' CD2' HG13 ' A' ' 74' ' ' ILE . 3.7 m170 -68.5 -51.39 43.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.626 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.423 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 76.4 m -45.87 -41.55 11.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 108.304 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.806 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 33.5 mt-30 -64.6 -59.37 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.45 ' CG ' HG12 ' A' ' 78' ' ' ILE . 28.6 mttt -50.98 -56.59 11.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.805 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -42.82 -70.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -43.48 -60.0 1.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.782 HG23 ' HG2' ' A' ' 26' ' ' PRO . 56.4 mt -47.38 -57.08 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.566 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 5.8 m-80 -48.23 -24.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' SER . 35.3 p -119.47 31.83 6.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER 37.38 36.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.029 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.756 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 42.4 43.51 3.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.69 -38.26 81.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.99 147.1 9.12 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.778 ' HA ' HG23 ' A' ' 32' ' ' ILE . 80.1 t -46.69 -36.91 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.487 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.9 pt-20 -64.32 -45.41 88.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.487 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 4.8 mt-10 -62.43 -48.08 81.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.805 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.47 -54.94 29.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 65' ' ' LEU . 4.2 ttm -58.23 -51.23 70.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -45.34 -40.07 7.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.65 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 66.1 t90 -67.66 -41.47 83.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 107.994 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.774 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.9 OUTLIER -61.79 -45.4 94.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.9 mt -64.65 -12.09 42.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.91 -6.35 13.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.03 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.794 ' O ' HD13 ' A' ' 74' ' ' ILE . 15.6 m-70 -133.54 26.11 4.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.61 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -79.12 -42.12 27.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -105.53 59.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.74 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.6 OUTLIER -130.78 155.42 81.39 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -31.27 6.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.544 1.813 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.0 OUTLIER -64.31 -38.23 90.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.794 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.9 tp -47.37 -28.99 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.76 -33.17 17.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -56.09 144.03 60.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 158.67 42.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.45 HG12 ' CG ' ' A' ' 48' ' ' LYS . 68.8 mt -78.66 -59.01 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.2 t -122.13 -1.87 9.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.6 -147.74 42.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 148.53 35.37 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.522 1.801 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.74 121.52 37.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.034 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.9 t -156.85 118.12 3.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.471 1.107 . . . . 0.0 110.968 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -116.38 89.17 3.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 0.0 109.944 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -145.63 -58.97 0.33 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.57 144.67 4.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 p -136.59 -58.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 110.008 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.735 ' HB3' HD21 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -158.46 107.73 2.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.008 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.71 71.52 1.87 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -134.72 -169.06 11.85 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -121.11 -40.73 2.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.744 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.93 -31.61 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.735 HD21 ' HB3' ' A' ' 6' ' ' SER . 0.8 OUTLIER 62.04 139.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.421 HD12 ' O ' ' A' ' 13' ' ' PRO . 0.2 OUTLIER 69.5 141.82 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.421 ' O ' HD12 ' A' ' 12' ' ' LEU . 18.3 Cg_endo -74.99 129.15 12.08 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -152.29 80.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.39 83.83 0.13 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.548 HG13 ' O ' ' A' ' 16' ' ' VAL . 12.9 p -127.28 106.42 21.61 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.444 0.732 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 97.66 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -164.58 177.09 8.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 58.84 93.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.5 p -149.59 150.96 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.53 26.21 1.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 58.62 160.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.67 78.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 25' ' ' GLN . . . -129.43 95.26 3.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 0.7 OUTLIER 85.64 151.31 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.698 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.04 176.54 9.79 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.534 1.808 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.46 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 5.5 m -140.01 133.43 35.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.803 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -61.84 88.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -40.62 128.09 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.566 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 19.6 mt-10 -67.21 -24.46 65.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.89 -49.91 13.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.812 HG23 ' HA ' ' A' ' 58' ' ' VAL . 15.9 mt -63.52 -40.89 90.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.1 t -70.25 -50.52 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -50.11 -30.88 12.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.529 ' OE1' HG21 ' A' ' 58' ' ' VAL . 44.4 mt-30 -76.72 -46.95 23.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.539 HD23 ' CE ' ' A' ' 39' ' ' MET . 10.9 mt -65.2 -51.57 60.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 43' ' ' GLN . 72.1 t -53.96 -20.36 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.84 -40.44 12.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.02 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.539 ' CE ' HD23 ' A' ' 36' ' ' LEU . 11.1 mtm -56.11 -28.27 57.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.08 41.76 0.58 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.433 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 49.1 m-85 -118.41 176.69 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.42 ' HB2' ' ND1' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -93.49 116.92 29.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.002 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.481 ' HA ' HG22 ' A' ' 37' ' ' VAL . 54.3 tt0 -40.48 -61.35 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 43' ' ' GLN . 6.1 tp -40.0 -44.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 6.6 m170 -75.08 -49.08 20.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.583 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.712 ' HA ' HD11 ' A' ' 65' ' ' LEU . 81.8 m -48.36 -39.81 23.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 108.275 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.803 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 36.2 mt-30 -63.56 -57.75 9.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' ALA . 22.7 mttt -51.47 -59.81 3.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.871 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -37.89 -73.73 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -42.17 -62.19 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.698 HG23 ' HG2' ' A' ' 26' ' ' PRO . 57.7 mt -45.03 -57.44 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.404 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 3.6 m-80 -48.47 -32.03 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.7 p -108.03 27.43 9.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.376 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.2 27.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.791 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 52.46 35.97 19.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.85 -41.78 62.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.26 151.58 13.11 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.812 ' HA ' HG23 ' A' ' 32' ' ' ILE . 57.8 t -45.95 -50.93 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.475 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.4 pt-20 -53.42 -44.87 69.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.475 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.4 mt-10 -61.73 -51.38 68.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.829 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.83 -56.97 11.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.884 ' HE2' HD11 ' A' ' 66' ' ' LEU . 3.0 ttp -55.4 -52.68 62.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.56 -45.68 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.657 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 66.4 t90 -60.99 -45.23 95.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 107.98 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.871 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 1.6 mt -57.77 -42.65 84.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.884 HD11 ' HE2' ' A' ' 62' ' ' MET . 23.9 mt -67.89 -9.52 45.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.63 -7.73 12.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.776 ' O ' HD13 ' A' ' 74' ' ' ILE . 32.0 m-70 -130.66 20.55 5.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -74.89 -42.1 58.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.13 57.0 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.862 ' O ' HG22 ' A' ' 74' ' ' ILE . 2.7 m-20 -127.51 155.22 77.15 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -31.91 5.8 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.502 1.79 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.9 OUTLIER -65.81 -37.95 87.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.862 HG22 ' O ' ' A' ' 71' ' ' ASP . 5.3 tp -45.85 -27.41 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 73' ' ' ASP . 63.5 m-20 -89.22 -37.36 15.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -49.93 145.45 9.13 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.1 Cg_endo -75.04 150.94 38.7 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 43.2 mt -69.38 -50.45 51.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 87.3 p -159.49 73.1 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.039 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 123.73 116.58 2.26 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -40.83 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 76.6 p -110.2 134.05 52.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.994 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.84 128.1 55.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.1 p -120.28 129.76 54.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.973 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.38 124.93 46.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.029 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.43 143.63 11.28 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.142 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.6 m -159.75 -60.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.982 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.0 p 43.67 82.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 110.04 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.43 177.73 34.96 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.49 1.118 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -146.66 174.1 26.64 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -97.05 -40.32 8.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.0 145.3 13.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.574 ' O ' HD12 ' A' ' 12' ' ' LEU . 12.6 tp -124.47 119.09 28.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.589 HD23 ' HD2' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -173.06 151.66 2.16 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.589 ' HD2' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -75.04 168.57 24.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.6 83.46 1.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.25 78.82 1.2 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.9 128.3 91.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 70.96 5.16 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.485 1.782 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -133.98 152.51 51.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -142.81 57.08 1.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.092 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.2 p -161.06 133.2 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.11 170.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.29 89.74 3.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.88 114.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -126.65 95.31 4.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -147.15 152.63 43.63 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.691 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.02 176.86 9.36 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.536 1.808 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.447 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 17.3 m -140.98 132.37 28.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.828 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -61.34 89.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.58 ' O ' HG23 ' A' ' 33' ' ' VAL . 13.4 t-20 -39.61 146.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -81.25 -24.77 37.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.243 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -79.2 -50.87 10.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.803 HD12 ' HB3' ' A' ' 55' ' ' ASN . 16.0 mt -62.24 -33.44 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.589 ' O ' HG23 ' A' ' 37' ' ' VAL . 55.4 t -77.57 -38.81 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -64.6 -32.87 74.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -74.34 -43.39 56.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.665 HD23 ' CE ' ' A' ' 39' ' ' MET . 17.1 mt -69.75 -57.44 5.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.655 HG22 ' HA ' ' A' ' 43' ' ' GLN . 77.8 t -45.64 -26.58 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -80.82 -42.1 22.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.962 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.665 ' CE ' HD23 ' A' ' 36' ' ' LEU . 12.3 mtt -53.06 -29.27 29.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.108 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.44 -5.53 7.15 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.491 1.12 . . . . 0.0 110.966 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 62' ' ' MET . 44.5 m-85 -68.69 175.9 3.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.427 ' OG ' ' ND1' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -96.27 121.85 38.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.017 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.655 ' HA ' HG22 ' A' ' 37' ' ' VAL . 61.7 tt0 -38.56 -60.69 0.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tp -40.33 -51.87 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.558 ' CD2' HG13 ' A' ' 74' ' ' ILE . 3.5 m170 -68.2 -49.86 58.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.576 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.437 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 79.2 m -46.44 -33.82 4.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.327 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.828 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 91.6 mt-30 -71.63 -59.95 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ALA . 26.7 mttt -49.78 -57.77 6.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.775 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -38.6 -71.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -44.2 -60.04 2.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.691 HG23 ' HG2' ' A' ' 26' ' ' PRO . 54.9 mt -46.73 -56.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.505 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 6.8 m-80 -49.1 -24.64 1.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.0 p -117.88 28.14 8.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 42.99 27.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.032 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.803 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 53.66 36.89 24.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.24 -41.89 65.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -171.54 157.13 27.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.138 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.78 ' HA ' HG23 ' A' ' 32' ' ' ILE . 37.7 t -53.32 -44.86 55.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.1 pt-20 -59.51 -43.1 93.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.3 mt-10 -61.76 -51.17 69.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.774 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.27 -57.19 10.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.844 ' HE2' HD11 ' A' ' 66' ' ' LEU . 3.2 ttp -55.25 -53.09 60.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -42.62 -46.27 4.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.64 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 70.0 t90 -61.1 -45.68 93.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.775 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -57.61 -41.27 80.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.844 HD11 ' HE2' ' A' ' 62' ' ' MET . 39.5 mt -64.84 -11.69 40.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.6 m -113.25 -16.97 12.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.014 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.714 ' O ' HD13 ' A' ' 74' ' ' ILE . 15.5 m-70 -124.46 29.77 6.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.602 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -75.4 -47.89 25.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -107.93 41.22 1.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.662 ' O ' HG22 ' A' ' 74' ' ' ILE . 3.2 m-20 -98.25 156.93 35.26 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -18.36 18.93 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 111.049 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 76' ' ' ALA . 2.2 m-20 -82.43 -36.24 26.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.714 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.5 tp -47.93 -36.46 5.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -81.48 -28.98 33.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -65.28 145.56 99.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.237 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 168.12 25.52 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.408 HD11 ' HB2' ' A' ' 47' ' ' GLN . 63.7 mt -84.58 -65.06 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.03 -0.79 9.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.4 ' HA2' ' HD3' ' A' ' 81' ' ' PRO . . . 120.44 135.56 4.95 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.4 ' HD3' ' HA2' ' A' ' 80' ' ' GLY . 18.4 Cg_endo -74.99 137.82 22.26 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.542 1.812 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.84 -59.5 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.8 p -91.45 171.48 9.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -135.21 -58.26 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 109.965 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -143.34 90.69 2.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.37 84.17 0.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.436 1.085 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.92 138.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.792 . . . . 0.0 109.973 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -106.87 -59.15 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.955 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.66 -158.23 21.82 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -148.09 117.32 0.88 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -79.35 -44.87 20.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 110.271 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -127.43 81.79 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.505 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -51.12 160.68 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.414 HD12 ' HD2' ' A' ' 13' ' ' PRO . 38.4 tp -73.97 114.1 29.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.414 ' HD2' HD12 ' A' ' 12' ' ' LEU . 18.3 Cg_endo -75.05 132.93 15.91 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.502 1.79 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -174.8 99.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -139.05 88.9 0.2 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.526 1.142 . . . . 0.0 111.007 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.6 p -173.99 128.84 0.48 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 117.23 4.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 110.969 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.98 73.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.441 ' C ' ' CG2' ' A' ' 20' ' ' VAL . 1.1 mt-10 -163.84 66.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.318 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.441 ' CG2' ' C ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER 39.88 80.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.64 156.22 46.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -69.66 168.81 14.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -107.33 79.01 1.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.018 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 23' ' ' SER . . . -179.51 70.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -147.6 152.83 42.44 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.913 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.02 179.54 6.0 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.473 1.775 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 29' ' ' ASN . 2.9 m -141.55 121.34 11.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.81 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -51.57 92.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 55' ' ' ASN . 17.2 t-20 -38.73 127.23 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.511 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 2.4 mt-10 -67.41 -26.12 66.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.25 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -47.16 27.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.854 HG23 ' HA ' ' A' ' 58' ' ' VAL . 19.7 mt -66.71 -39.41 83.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.408 HG13 ' HB2' ' A' ' 46' ' ' CYS . 53.2 t -71.36 -48.5 53.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -52.72 -31.62 38.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.639 ' OE1' HG21 ' A' ' 58' ' ' VAL . 52.1 mt-30 -75.7 -47.46 26.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.619 HD23 ' CE ' ' A' ' 39' ' ' MET . 19.0 mt -64.24 -53.43 49.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.632 HG22 ' HA ' ' A' ' 43' ' ' GLN . 77.2 t -51.1 -22.56 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.1 -38.58 12.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.003 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.619 ' CE ' HD23 ' A' ' 36' ' ' LEU . 11.4 mtm -56.9 -25.51 57.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.21 34.72 1.09 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.436 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 49.6 m-85 -112.97 178.83 4.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.431 ' OG ' ' ND1' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -96.24 118.98 33.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.027 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.632 ' HA ' HG22 ' A' ' 37' ' ' VAL . 55.1 tt0 -37.94 -59.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 tp -42.54 -54.64 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 3.4 m170 -64.14 -51.3 64.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.614 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 76.8 m -43.78 -40.04 4.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 108.299 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.81 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 36.4 mt-30 -67.32 -60.18 2.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -48.44 -56.1 9.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.364 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.803 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -43.21 -69.55 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -44.81 -60.2 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.913 HG23 ' HG2' ' A' ' 26' ' ' PRO . 61.1 mt -46.61 -56.56 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.499 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 5.6 m-80 -48.53 -26.31 2.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 50' ' ' ALA . 50.8 p -117.42 30.23 7.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.422 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER 38.08 36.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.977 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.758 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.2 OUTLIER 41.36 45.1 2.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 109.262 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.94 -32.46 74.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.62 148.56 9.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.459 1.1 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.854 ' HA ' HG23 ' A' ' 32' ' ' ILE . 55.3 t -47.42 -48.71 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.2 pt-20 -55.31 -44.74 76.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 6.6 mm-40 -57.84 -53.69 55.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.753 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -51.73 -59.1 4.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.859 ' HE2' HD11 ' A' ' 66' ' ' LEU . 2.2 ttp -52.95 -53.35 51.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -43.22 -47.07 6.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.652 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 73.8 t90 -60.29 -44.19 95.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 108.017 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.803 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -59.96 -42.51 94.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.859 HD11 ' HE2' ' A' ' 62' ' ' MET . 37.6 mt -64.05 -12.55 39.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.14 -6.94 11.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.773 ' O ' HD13 ' A' ' 74' ' ' ILE . 19.4 m-70 -131.59 26.72 4.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.618 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -80.53 -41.79 23.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -106.7 55.97 0.66 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.781 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -125.13 155.99 70.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -30.84 6.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.788 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.3 m-20 -65.94 -39.12 90.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.781 HG22 ' O ' ' A' ' 71' ' ' ASP . 4.3 tp -46.23 -26.12 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 73' ' ' ASP . 57.5 m-20 -91.14 -36.93 13.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -51.58 148.95 8.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.4 Cg_endo -74.98 158.67 42.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 0.0 110.998 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.6 mt -77.17 -50.7 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 97.1 p -104.52 95.98 6.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -152.92 160.87 29.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 164.25 33.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.472 1.775 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.6 p 52.52 174.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.2 m 53.25 100.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.9 p -76.29 96.81 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 t -173.78 155.02 2.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 110.038 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.34 98.35 0.19 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.0 p -123.63 166.46 15.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 0.739 . . . . 0.0 109.979 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 p -165.65 -57.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.64 142.16 37.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.14 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.444 ' O ' ' CB ' ' A' ' 9' ' ' GLU . . . -177.19 -140.71 3.74 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.444 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER 82.01 -51.49 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 0.758 . . . . 0.0 110.273 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.34 164.77 38.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.754 ' O ' HD12 ' A' ' 12' ' ' LEU . 6.2 tp -94.55 57.72 2.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER 57.41 113.03 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 58.43 4.86 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t0 174.64 -58.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 132.5 -82.39 0.31 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 16' ' ' VAL . 8.6 p -171.85 108.81 0.38 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.546 0.792 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 97.95 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.532 1.806 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -118.04 77.99 1.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -153.83 106.81 2.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.3 t -138.06 146.98 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.3 mtt -83.99 47.23 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.13 160.82 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.9 m -59.24 97.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.964 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' A' ' 25' ' ' GLN . . . -131.77 74.4 1.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.513 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 0.7 OUTLIER 87.12 147.13 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.692 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.02 176.37 10.01 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.524 1.802 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.457 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 6.7 m -142.01 130.1 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.773 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -57.8 90.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.41 ' O ' HG23 ' A' ' 33' ' ' VAL . 17.3 t-20 -41.06 132.25 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.492 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 1.2 mt-10 -68.72 -26.26 65.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -53.72 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.9 HG23 ' HA ' ' A' ' 58' ' ' VAL . 15.7 mt -59.5 -37.41 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 37' ' ' VAL . 44.3 t -73.89 -48.33 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -56.54 -34.28 66.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -71.72 -44.84 63.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.675 HD11 ' HB3' ' A' ' 61' ' ' ALA . 8.3 mt -69.19 -54.39 15.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.567 HG22 ' HA ' ' A' ' 43' ' ' GLN . 78.5 t -48.65 -23.97 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -84.91 -41.37 16.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.974 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.44 ' CE ' HD23 ' A' ' 36' ' ' LEU . 11.5 mtm -53.89 -29.41 41.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.55 40.71 0.6 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.545 1.153 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.433 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 39.2 m-85 -114.16 -171.83 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.754 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -105.25 113.21 26.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.014 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.567 ' HA ' HG22 ' A' ' 37' ' ' VAL . 48.4 tt0 -35.56 -62.34 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' GLN . 5.2 tp -39.29 -47.8 1.75 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.565 ' CD2' HG13 ' A' ' 74' ' ' ILE . 6.8 m170 -72.12 -49.04 39.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.577 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.433 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 92.0 m -49.22 -28.84 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.258 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.773 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 34.1 mt-30 -76.04 -58.96 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.352 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -50.58 -54.16 24.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.853 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -43.04 -69.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 53' ' ' THR . . . -46.32 -62.81 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.692 HG23 ' HG2' ' A' ' 26' ' ' PRO . 51.5 mt -44.12 -50.53 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.514 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 4.2 m-80 -55.31 -37.45 67.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 50' ' ' ALA . 35.5 p -104.94 28.37 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.378 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.428 ' C ' ' CG ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER 40.13 35.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.015 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.781 ' CB ' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 46.22 41.96 9.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.493 ' HB3' ' CD ' ' A' ' 60' ' ' GLU . . . -58.46 -23.03 56.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 166.79 156.47 9.68 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.9 ' HA ' HG23 ' A' ' 32' ' ' ILE . 46.4 t -50.05 -42.55 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 0.793 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.1 pt-20 -63.56 -41.72 98.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.493 ' CD ' ' HB3' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -60.51 -53.54 56.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.853 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -51.51 -58.73 5.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.768 ' HE2' HD11 ' A' ' 66' ' ' LEU . 2.0 ttp -53.96 -52.79 59.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -42.81 -46.68 5.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.652 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 74.4 t90 -61.1 -45.51 94.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 107.972 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.762 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -57.29 -44.3 83.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.768 HD11 ' HE2' ' A' ' 62' ' ' MET . 32.3 mt -62.98 -12.94 29.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m -113.52 -10.31 13.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.801 ' O ' HD13 ' A' ' 74' ' ' ILE . 14.2 m-70 -132.86 33.6 3.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.619 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -85.01 -41.65 15.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 110.97 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -104.7 46.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.812 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -113.33 154.91 45.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -32.73 5.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.492 1.785 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 76' ' ' ALA . 4.2 m-20 -64.51 -37.53 87.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.812 HG22 ' O ' ' A' ' 71' ' ' ASP . 4.7 tp -45.81 -30.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -85.49 -37.31 19.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -53.6 144.44 33.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 157.65 42.79 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.549 1.815 . . . . 0.0 111.037 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.414 HD11 ' HB2' ' A' ' 47' ' ' GLN . 94.3 mt -75.94 -46.9 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.2 p -101.91 99.54 9.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.08 175.46 16.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.468 1.105 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 92.95 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 26.7 m -120.15 170.34 9.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.29 98.53 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.043 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 -179.952 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 t -162.27 147.84 12.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 109.963 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m 61.19 158.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.49 108.08 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.13 . . . . 0.0 111.029 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.2 m -111.05 82.9 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.2 p -178.78 115.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.95 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.94 88.53 0.1 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.44 138.09 4.98 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -120.96 -48.71 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -156.65 168.0 28.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.494 ' H ' HD12 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -99.43 57.1 1.03 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.589 HD12 ' O ' ' A' ' 13' ' ' PRO . 1.4 pp -57.66 155.52 21.02 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.589 ' O ' HD12 ' A' ' 12' ' ' LEU . 18.3 Cg_endo -75.0 178.82 6.75 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.535 1.808 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -49.38 112.86 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.06 -70.63 0.85 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.9 p -40.61 131.74 1.76 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 134.29 17.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.523 1.801 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -60.43 173.18 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -127.16 -144.57 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.5 t -107.71 144.53 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.2 170.78 11.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.75 154.07 18.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.539 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -135.83 164.79 27.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 23' ' ' SER . . . 73.55 61.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -157.57 150.97 18.84 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.784 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.04 177.9 7.99 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 29' ' ' ASN . 6.8 m -139.73 128.59 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.767 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -56.08 91.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.469 ' O ' HG23 ' A' ' 33' ' ' VAL . 19.1 t-20 -40.13 138.88 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 2.9 mt-10 -75.45 -20.75 58.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.348 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -53.15 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.823 HD12 ' HB3' ' A' ' 55' ' ' ASN . 3.9 mt -61.15 -32.99 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 29' ' ' ASN . 40.2 t -76.29 -47.1 31.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -58.26 -32.97 68.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -72.65 -42.33 64.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.596 HD11 ' CB ' ' A' ' 61' ' ' ALA . 18.7 mt -71.18 -56.24 6.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.636 HG22 ' HA ' ' A' ' 43' ' ' GLN . 84.7 t -48.97 -23.72 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -85.39 -39.07 18.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.005 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.492 ' CE ' ' CG1' ' A' ' 58' ' ' VAL . 14.8 mtm -58.45 -23.33 57.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.37 40.33 0.96 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.434 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 51.2 m-85 -117.19 173.55 6.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.419 ' HB2' ' CG ' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -88.8 118.9 28.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 110.003 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.636 ' HA ' HG22 ' A' ' 37' ' ' VAL . 42.1 tt0 -38.64 -61.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tp -40.34 -56.7 1.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 74' ' ' ILE . 4.6 m170 -60.11 -53.2 60.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.597 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.566 ' HA ' HD11 ' A' ' 65' ' ' LEU . 73.9 m -44.13 -44.28 7.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.145 . . . . 0.0 108.292 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.767 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 35.2 mt-30 -62.05 -59.82 4.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -48.77 -58.84 4.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.856 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -41.9 -70.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.824 ' HB1' ' OD1' ' A' ' 55' ' ' ASN . . . -42.32 -60.17 1.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.784 HG23 ' HG2' ' A' ' 26' ' ' PRO . 67.2 mt -48.13 -56.2 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.402 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 5.3 m-80 -48.09 -32.63 7.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 49' ' ' ALA . 7.3 p -107.7 31.33 5.54 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.496 1.122 . . . . 0.0 110.394 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 51' ' ' ILE . 0.3 OUTLIER 38.79 30.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.038 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.824 ' OD1' ' HB1' ' A' ' 50' ' ' ALA . 14.8 m-80 47.98 44.4 18.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.37 -14.39 62.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 161.44 159.59 10.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.745 ' HA ' HG23 ' A' ' 32' ' ' ILE . 95.2 t -57.37 -47.71 84.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.774 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.48 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.5 pt-20 -53.63 -45.08 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.48 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -63.15 -51.48 66.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.337 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.794 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.13 -56.88 12.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.791 ' HE2' HD11 ' A' ' 66' ' ' LEU . 2.6 ttp -54.8 -53.25 57.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -42.7 -46.51 5.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.667 ' CZ2' ' CG ' ' A' ' 68' ' ' HIS . 74.5 t90 -60.62 -45.38 94.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 108.013 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.856 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 1.5 mt -57.66 -40.36 79.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.791 HD11 ' HE2' ' A' ' 62' ' ' MET . 27.2 mt -68.29 -8.93 43.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 t -113.56 -19.87 11.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.764 ' O ' HD13 ' A' ' 74' ' ' ILE . 35.5 m-70 -119.27 21.37 12.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.624 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -72.86 -45.67 57.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -105.32 53.58 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.657 ' O ' HG22 ' A' ' 74' ' ' ILE . 2.4 m-20 -122.68 154.5 63.5 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -27.27 10.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' ALA . 2.7 m-20 -68.71 -38.82 80.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.764 HD13 ' O ' ' A' ' 68' ' ' HIS . 3.6 tp -45.48 -28.41 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -87.93 -38.07 15.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -49.14 144.03 8.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 76' ' ' ALA . 18.3 Cg_endo -75.05 151.04 38.82 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.525 1.802 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.5 mt -69.83 -57.59 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.6 m -140.5 78.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.973 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.47 -174.82 52.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 169.86 21.7 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.782 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -124.1 99.19 6.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.005 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.4 117.38 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m 43.84 83.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 110.036 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 t 45.67 93.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.025 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.19 -138.4 9.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -150.07 157.91 43.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.951 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.28 -58.21 9.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.45 -113.74 3.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.71 -169.72 14.56 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -127.06 6.2 6.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 0.734 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -108.58 -8.76 15.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.9 mt 40.9 70.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.3 OUTLIER 62.23 125.82 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 12' ' ' LEU . 18.2 Cg_endo -75.03 -81.65 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.1 t70 63.74 73.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.74 74.77 0.95 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 16' ' ' VAL . 13.5 p -124.39 103.23 32.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 126.91 10.25 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.521 1.801 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -140.15 116.51 10.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -125.71 86.37 2.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 110.342 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.557 HG22 ' H ' ' A' ' 21' ' ' MET . 9.6 p -149.21 171.98 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.557 ' H ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -75.89 172.94 11.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -78.49 113.53 16.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER 165.36 77.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.518 ' O ' ' CB ' ' A' ' 25' ' ' GLN . . . -163.59 75.18 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.518 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER 88.28 153.6 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.703 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.03 177.26 8.83 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 16.0 m -140.38 131.91 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.823 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -59.67 89.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 28' ' ' ALA . 13.2 t-20 -39.96 146.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.548 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -81.51 -24.37 36.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -79.26 -52.14 8.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.837 HG23 ' HA ' ' A' ' 58' ' ' VAL . 9.5 mt -61.36 -34.61 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.655 ' O ' HG23 ' A' ' 37' ' ' VAL . 22.7 t -77.15 -39.26 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 30' ' ' GLU . . . -63.3 -34.81 78.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.627 ' CD ' HG21 ' A' ' 58' ' ' VAL . 44.6 mt-30 -72.55 -45.98 56.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.473 HD11 ' HB3' ' A' ' 61' ' ' ALA . 9.0 mt -66.37 -55.16 17.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 33' ' ' VAL . 69.4 t -48.78 -24.17 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -83.27 -41.67 18.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.012 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.468 ' CE ' HD23 ' A' ' 36' ' ' LEU . 12.7 mtm -53.66 -28.8 35.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.12 39.92 0.78 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.423 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 31.3 m-85 -111.38 -171.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -105.36 115.32 30.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.972 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 44' ' ' LEU . 60.9 tt0 -37.5 -65.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 43' ' ' GLN . 7.1 tp -37.76 -41.87 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.567 ' CD2' HG13 ' A' ' 74' ' ' ILE . 11.7 m170 -77.79 -48.87 15.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.587 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.423 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 99.2 m -50.14 -29.32 8.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 108.302 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.823 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 91.3 mt-30 -74.31 -58.94 2.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' ALA . 23.7 mttt -50.73 -58.74 5.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 0.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.87 ' HB2' ' HG ' ' A' ' 65' ' ' LEU . . . -39.24 -71.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.97 -60.81 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.703 HG23 ' HG2' ' A' ' 26' ' ' PRO . 62.2 mt -46.37 -56.41 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.489 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 5.9 m-80 -48.74 -33.17 9.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.68 HG23 ' O ' ' A' ' 49' ' ' ALA . 7.6 p -106.82 28.18 8.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.432 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 42.29 28.57 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.634 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 51.5 35.49 14.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.251 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.589 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . . . -53.93 -38.62 65.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.91 158.12 26.76 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.556 1.16 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.837 ' HA ' HG23 ' A' ' 32' ' ' ILE . 53.6 t -54.92 -43.5 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 0.785 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 3.6 pt-20 -60.68 -43.38 97.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.589 ' OE1' ' HB3' ' A' ' 56' ' ' ALA . 0.3 OUTLIER -61.78 -51.66 67.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.794 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -52.52 -58.4 6.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.93 ' HE2' HD11 ' A' ' 66' ' ' LEU . 3.0 ttp -53.7 -53.44 52.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -42.81 -45.78 4.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.649 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 65.1 t90 -61.43 -45.6 93.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 107.979 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.87 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.6 OUTLIER -56.86 -43.71 81.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.93 HD11 ' HE2' ' A' ' 62' ' ' MET . 23.5 mt -65.73 -10.99 41.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -112.78 -12.0 13.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.773 ' O ' HD13 ' A' ' 74' ' ' ILE . 13.5 m-70 -131.62 30.68 4.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.635 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -81.43 -43.03 19.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -105.31 58.99 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.354 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.822 ' O ' HG22 ' A' ' 74' ' ' ILE . 2.2 m-20 -127.49 156.09 75.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -30.54 7.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.8 OUTLIER -66.76 -38.48 86.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.822 HG22 ' O ' ' A' ' 71' ' ' ASP . 4.5 tp -47.79 -31.97 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -84.26 -32.04 24.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -60.47 148.88 79.53 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.363 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 157.35 43.16 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.481 1.779 . . . . 0.0 111.047 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 21.9 mt -69.72 -8.77 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.07 62.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -153.49 -159.85 9.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 73.42 4.35 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.517 1.798 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 85.0 p -111.39 107.4 16.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.0 m -141.89 -56.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -46.07 117.15 1.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 110.006 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -130.35 -58.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.038 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.41 162.58 2.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.536 1.148 . . . . 0.0 111.04 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.8 m -150.54 -59.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.87 123.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.97 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.95 -171.1 14.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.52 159.35 25.98 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.93 -41.16 3.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 63.42 121.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.78 75.33 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.86 163.32 18.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 58.91 5.07 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -179.36 111.69 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.99 -82.12 0.51 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.5 p -108.72 101.55 44.16 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 87.64 1.29 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.497 1.788 . . . . 0.0 111.04 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -177.99 131.17 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -171.36 87.73 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.2 p -71.92 161.57 4.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.6 ptt? -82.74 127.58 33.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.954 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -164.18 74.88 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.14 169.29 1.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -156.3 74.14 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -154.5 155.74 30.96 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.94 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -75.01 177.8 8.11 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 4.5 m -140.78 124.71 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.794 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -55.88 89.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.466 ' OD1' ' CB ' ' A' ' 31' ' ' GLU . 21.9 t-20 -39.5 129.17 1.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -65.32 -28.69 69.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.466 ' CB ' ' OD1' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -74.01 -52.32 13.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.8 HG23 ' HA ' ' A' ' 58' ' ' VAL . 24.5 mt -58.84 -38.29 71.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.439 ' CG2' ' HA ' ' A' ' 47' ' ' GLN . 48.2 t -72.85 -50.92 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.45 -31.61 46.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -74.77 -43.69 53.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.553 HD23 ' HE1' ' A' ' 39' ' ' MET . 14.3 mt -69.23 -58.09 4.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.613 HG22 ' HA ' ' A' ' 43' ' ' GLN . 70.9 t -45.61 -26.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -82.37 -40.61 21.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.974 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.553 ' HE1' HD23 ' A' ' 36' ' ' LEU . 12.8 mtm -55.34 -26.9 43.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.92 38.91 0.93 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.558 1.161 . . . . 0.0 111.034 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.437 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 38.6 m-85 -113.48 -173.92 2.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.415 ' HB2' ' ND1' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -99.57 118.5 36.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 109.974 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.613 ' HA ' HG22 ' A' ' 37' ' ' VAL . 55.7 tt0 -38.54 -63.44 0.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' GLN . 8.1 tp -38.94 -57.66 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.173 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.516 ' CB ' HD21 ' A' ' 65' ' ' LEU . 4.1 m170 -61.65 -51.96 66.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.592 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.437 ' SG ' ' CB ' ' A' ' 41' ' ' PHE . 89.2 m -43.43 -45.48 6.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 108.316 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.794 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 78.5 mt-30 -60.09 -59.73 4.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.534 ' O ' ' C ' ' A' ' 49' ' ' ALA . 31.2 mttt -47.75 -62.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.785 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -30.31 -71.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 54' ' ' SER . . . -45.08 -52.32 9.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.94 HG23 ' HG2' ' A' ' 26' ' ' PRO . 49.7 mt -55.06 -46.92 77.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.637 ' OD1' ' CZ3' ' A' ' 64' ' ' TRP . 2.3 m120 -64.34 -12.11 38.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 56' ' ' ALA . 12.8 p -127.67 22.5 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.44 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER 42.78 35.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.782 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 53.15 42.36 32.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 53' ' ' THR . . . -82.65 48.93 1.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.13 153.11 28.6 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.8 ' HA ' HG23 ' A' ' 32' ' ' ILE . 89.3 t -61.94 -50.17 81.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.469 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 4.2 pt-20 -49.37 -44.41 44.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -60.98 -48.0 83.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.785 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -54.67 -55.79 26.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' LEU . 2.6 ttm -58.4 -51.82 68.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -43.49 -40.46 3.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.655 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 90.4 t90 -67.49 -46.02 74.15 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.582 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 0.8 OUTLIER -55.11 -45.5 75.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.9 mt -63.66 -12.42 33.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.42 -5.04 12.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.788 ' O ' HD13 ' A' ' 74' ' ' ILE . 12.5 m-70 -136.09 28.78 3.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.583 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -77.59 -45.35 25.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -103.49 58.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.869 ' O ' HG22 ' A' ' 74' ' ' ILE . 2.0 m-20 -126.69 156.18 73.86 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -31.19 6.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.793 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.7 m-20 -67.13 -40.91 86.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.869 HG22 ' O ' ' A' ' 71' ' ' ASP . 4.2 tp -48.24 -25.31 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 73' ' ' ASP . 0.4 OUTLIER -93.55 -31.84 14.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -53.11 148.47 14.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 148.48 35.28 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 67.5 mt -72.41 -49.73 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.36 81.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.933 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.83 158.78 14.08 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.459 1.1 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -58.07 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.79 . . . . 0.0 111.01 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.45 82.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.1 p -172.69 148.41 1.9 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.101 . . . . 0.0 110.975 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.2 p -129.08 137.63 51.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.786 . . . . 0.0 110.026 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 p -143.26 149.05 37.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.029 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.31 -82.85 0.08 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.55 94.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.34 133.67 52.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.971 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.5 -92.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 9' ' ' GLU . . . 108.54 -146.97 16.56 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 8' ' ' GLY . 10.1 pt-20 36.95 84.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -100.51 135.08 42.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tt -113.91 81.53 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.18 109.96 54.15 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 57.58 4.57 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.447 1.762 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -72.45 -53.64 11.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 39.06 76.92 0.07 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 13.6 p -51.11 129.82 30.75 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.777 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 16' ' ' VAL . 18.4 Cg_endo -75.01 55.88 4.09 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 56.01 165.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -143.27 65.15 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.2 t 64.31 144.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.2 ptt? -82.6 152.13 26.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -174.37 167.29 4.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.67 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 47.9 m -54.08 174.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.956 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 23' ' ' SER . . . 82.9 57.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.521 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 0.7 OUTLIER 87.96 152.06 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.976 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -74.99 -179.44 4.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.79 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.449 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 5.6 m -139.89 123.95 18.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.246 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.828 ' HB1' ' HA ' ' A' ' 47' ' ' GLN . . . -58.79 88.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.475 ' O ' HG23 ' A' ' 33' ' ' VAL . 18.4 t-20 -39.0 123.38 1.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 1.6 mt-10 -63.69 -28.34 69.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -42.17 67.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.864 HG23 ' HA ' ' A' ' 58' ' ' VAL . 38.0 mt -70.51 -38.81 75.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.593 HG13 ' HB2' ' A' ' 46' ' ' CYS . 96.4 t -72.92 -53.56 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -47.96 -28.52 2.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.582 ' NE2' HG21 ' A' ' 58' ' ' VAL . 45.6 mt-30 -79.39 -45.25 19.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.328 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.603 HD23 ' CE ' ' A' ' 39' ' ' MET . 16.8 mt -67.28 -53.05 33.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' A' ' 43' ' ' GLN . 86.9 t -50.9 -22.5 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.43 -38.9 14.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.603 ' CE ' HD23 ' A' ' 36' ' ' LEU . 13.0 mtm -58.27 -25.77 62.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.18 39.32 0.88 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . 42.4 m-85 -115.7 177.45 4.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.777 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.443 ' HB2' ' CG ' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -93.94 117.78 30.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.497 ' HA ' HG22 ' A' ' 37' ' ' VAL . 64.8 tt0 -38.3 -63.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 43' ' ' GLN . 9.0 tp -39.43 -47.99 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.538 ' CB ' HD21 ' A' ' 65' ' ' LEU . 4.6 m170 -71.27 -49.37 43.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.575 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.593 ' HB2' HG13 ' A' ' 33' ' ' VAL . 73.8 m -46.47 -45.59 18.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 108.258 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.828 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 36.7 mt-30 -59.74 -57.45 12.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.524 ' O ' ' C ' ' A' ' 49' ' ' ALA . 30.3 mttt -49.36 -61.57 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.776 ' HB1' ' O ' ' A' ' 61' ' ' ALA . . . -30.97 -71.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' SER . . . -45.47 -51.81 11.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.976 HG23 ' HG2' ' A' ' 26' ' ' PRO . 57.5 mt -54.83 -48.51 73.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.641 ' OD1' ' CZ3' ' A' ' 64' ' ' TRP . 2.2 m120 -62.6 -13.68 34.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 56' ' ' ALA . 62.1 p -126.47 23.73 6.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER 40.08 39.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.993 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.646 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 46.1 40.61 7.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.318 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 53' ' ' THR . . . -63.18 -29.15 70.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 171.73 145.29 4.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.135 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.864 ' HA ' HG23 ' A' ' 32' ' ' ILE . 46.7 t -44.9 -55.6 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 60' ' ' GLU . 5.2 pt-20 -50.17 -43.49 52.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.457 ' N ' ' CG ' ' A' ' 59' ' ' GLU . 1.2 mt-10 -60.77 -48.48 81.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.776 ' O ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.37 -56.15 19.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.15 . . . . 0.0 109.371 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.869 ' HE2' HD11 ' A' ' 66' ' ' LEU . 3.5 ttp -58.08 -53.73 54.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -43.15 -40.47 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.649 ' CZ2' ' ND1' ' A' ' 68' ' ' HIS . 90.2 t90 -66.68 -47.11 73.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 108.011 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.593 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 0.8 OUTLIER -54.53 -43.6 72.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.869 HD11 ' HE2' ' A' ' 62' ' ' MET . 23.8 mt -64.56 -11.74 37.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.06 -3.37 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.028 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.82 ' O ' HD13 ' A' ' 74' ' ' ILE . 18.9 m-70 -135.93 25.5 3.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.594 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -76.44 -44.59 35.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -103.02 56.18 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.898 ' O ' HG22 ' A' ' 74' ' ' ILE . 2.3 m-20 -123.21 155.83 64.17 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -32.21 5.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.4 OUTLIER -66.95 -40.46 87.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.898 HG22 ' O ' ' A' ' 71' ' ' ASP . 3.7 tp -48.18 -26.81 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -91.7 -31.52 15.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -55.61 148.23 36.18 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.84 37.19 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.506 1.793 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.6 mt -74.49 -50.02 28.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 95.8 p -129.5 87.31 2.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 55.48 171.78 0.1 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.137 . . . . 0.0 111.043 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 63.33 6.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.5 m 61.86 116.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.974 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.8 p -61.71 -57.88 10.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.989 . . . . . . . . 0 0 . 1 stop_ save_