data_1nor_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 1nor _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.555 HD22 ' SG ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.469 ' HG2' HG23 ' A' ' 14' ' ' THR . 4.8 tt0 -98.5 119.03 36.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.555 ' SG ' HD22 ' A' ' 1' ' ' LEU . 91.8 m -131.13 168.12 17.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 108.266 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.734 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 92.5 m-70 -70.67 162.53 28.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.602 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -130.06 -38.73 1.41 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.514 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 2.1 pt20 -41.68 154.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -138.21 156.31 47.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.542 ' O ' HD11 ' A' ' 36' ' ' ILE . 1.7 m 66.01 -93.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.3 p -141.12 35.92 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.491 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -72.73 177.24 1.96 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.491 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -75.01 170.75 19.72 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.524 1.802 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.514 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 18.2 Cg_endo -74.97 84.05 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.798 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 p -110.22 140.84 43.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.482 HG21 ' O ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -127.38 171.13 11.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.12 152.3 12.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.1 m -93.48 132.98 37.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.419 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.8 m -99.84 152.4 20.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.262 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.28 131.25 56.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.037 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.56 -50.09 4.17 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -80.01 123.58 27.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 110.235 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.459 ' C ' ' ND2' ' A' ' 22' ' ' ASN . 7.2 t -114.59 39.38 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.459 ' ND2' ' C ' ' A' ' 21' ' ' THR . 3.0 m-80 -148.37 157.08 43.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.49 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 1.6 m -146.58 152.63 39.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 108.277 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.612 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 40.1 p90 -140.38 160.32 40.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.437 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -130.74 136.11 48.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 6.4 ptpt -131.43 139.9 49.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 20.8 p90 -150.64 158.3 43.99 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.511 ' CH2' HG23 ' A' ' 35' ' ' ILE . 9.2 p90 -162.06 134.92 5.98 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -85.84 148.61 25.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 33' ' ' GLY . 2.6 p30 -117.52 -161.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -46.13 -69.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.588 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -133.69 57.2 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 30' ' ' ASP . . . -174.2 -178.41 44.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 m -147.54 120.39 8.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 0.0 110.422 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.511 HG23 ' CH2' ' A' ' 28' ' ' TRP . 3.1 mp -95.41 132.75 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.63 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.8 mp -130.38 145.92 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -158.23 138.04 12.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.63 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 1.2 mpt_? -130.44 167.95 17.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.43 -175.41 47.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.566 1.166 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 1.2 m -94.66 157.61 15.89 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.63 -159.9 19.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.0 t -160.37 94.49 1.56 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.612 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.5 Cg_endo -75.0 -179.21 4.77 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.472 1.775 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.11 135.43 34.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.8 p -78.85 112.88 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.56 151.42 37.44 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 135.16 18.71 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.13 -26.28 23.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.546 1.154 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 88.9 t -113.25 140.89 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.5 OUTLIER -88.76 134.12 34.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.8 tp -149.86 142.55 24.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -140.17 131.34 26.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 35.6 m -109.33 143.53 38.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 108.296 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -156.43 163.84 38.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 108.306 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -118.94 21.81 12.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.242 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.453 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -101.16 148.18 25.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.388 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.1 137.8 58.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.554 ' CD ' ' CE1' ' A' ' 4' ' ' HIS . 6.5 mtm180 47.88 30.09 1.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.453 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 14.5 p -76.06 -19.03 58.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 108.331 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.452 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 39.1 p-10 -97.98 79.67 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.734 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . 13.9 t30 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.472 HD12 ' OG1' ' A' ' 21' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -104.14 127.13 51.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.9 m -129.07 173.02 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 108.28 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.627 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 93.2 m-70 -79.01 160.24 27.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.403 1.065 . . . . 0.0 109.54 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.509 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -123.54 -33.14 3.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.549 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.6 OUTLIER -37.41 145.63 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.422 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -119.89 147.15 45.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.317 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m 62.95 -97.1 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 m -132.42 35.62 3.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.943 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.595 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 1.9 mt-30 -65.42 179.94 0.39 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.245 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.595 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.1 Cg_endo -75.03 170.82 19.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.535 1.808 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 83.81 1.77 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.467 1.772 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.509 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 3.1 p -112.15 139.04 48.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 110.369 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -123.91 171.33 9.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.358 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.79 158.07 12.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 m -94.43 132.86 38.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.329 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.3 m -90.31 156.03 18.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 108.286 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 19' ' ' GLY . 8.0 m -95.81 130.16 42.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 18' ' ' SER . . . 37.15 49.56 1.57 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 21' ' ' THR . 5.4 tp10 -149.92 128.23 12.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.472 ' OG1' HD12 ' A' ' 1' ' ' LEU . 5.0 t -123.42 31.94 5.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.433 1.083 . . . . 0.0 110.385 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -141.95 153.49 44.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 99.9 m -149.6 156.55 42.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.173 . . . . 0.0 108.326 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.577 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 29.2 p90 -140.93 160.03 40.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.742 ' HZ3' ' H ' ' A' ' 61' ' ' ASN . 2.7 mtpp -116.91 138.46 51.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.577 1.173 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.403 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 10.9 ptmt -135.76 129.46 32.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.525 ' CE2' ' HB3' ' A' ' 50' ' ' ASN . 25.8 p90 -151.0 161.77 42.1 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 12.9 p90 -159.88 136.68 9.22 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -81.6 145.38 30.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.43 ' OD2' ' CA ' ' A' ' 33' ' ' GLY . 2.8 p30 -109.67 -163.18 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -49.37 -64.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.6 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.2 52.35 1.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 110.364 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.43 ' CA ' ' OD2' ' A' ' 30' ' ' ASP . . . -166.66 -171.77 33.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.538 1.149 . . . . 0.0 111.048 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 m -150.89 120.32 6.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.471 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.8 mt -97.51 134.91 33.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.403 ' N ' HD11 ' A' ' 36' ' ' ILE . 3.9 mp -126.35 150.79 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 38' ' ' ARG . 4.9 tp10 -160.05 132.3 6.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.327 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 1.175 ' NH2' ' O ' ' A' ' 61' ' ' ASN . 1.7 mpt_? -123.51 153.46 40.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.62 -177.33 40.05 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.546 1.153 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -91.9 160.26 15.37 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.87 -172.02 23.23 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.439 1.087 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 47.0 t -152.35 88.97 3.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.577 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.5 Cg_endo -74.96 177.17 8.93 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.473 1.775 . . . . 0.0 111.098 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.461 ' C ' HD21 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -83.65 138.94 33.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.749 ' HA ' HD21 ' A' ' 51' ' ' LEU . 11.7 p -78.52 114.21 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.81 152.93 38.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.4 1.063 . . . . 0.0 109.348 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 135.03 18.69 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.4 -24.85 30.57 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.11 . . . . 0.0 111.006 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 90.7 t -114.93 142.99 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.525 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 64.4 m-80 -88.57 130.08 35.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.749 HD21 ' HA ' ' A' ' 45' ' ' VAL . 17.3 tp -145.3 131.8 19.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -133.28 148.35 51.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 63.0 m -121.25 147.78 45.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 108.342 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.4 p -156.59 164.98 37.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 108.328 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -129.5 23.27 5.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.44 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -106.68 148.08 28.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.467 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -61.73 138.43 58.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 109.387 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.627 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 11.6 mtm180 49.18 29.07 2.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 110.257 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.473 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 23.2 p -70.51 -30.46 67.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 108.303 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.502 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 35.2 p30 -97.25 79.72 2.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 1.175 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 52.8 t-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.805 HD11 ' HA ' ' A' ' 21' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.602 ' HG3' HG22 ' A' ' 14' ' ' THR . 2.8 pt-20 -104.76 124.84 50.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.174 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 63.5 m -114.93 162.72 16.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 108.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.56 ' NE2' ' CD ' ' A' ' 58' ' ' ARG . 30.7 m-70 -78.12 157.85 29.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.609 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.535 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 0.5 OUTLIER -120.37 -40.91 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.419 ' OE1' ' O ' ' A' ' 11' ' ' PRO . 0.4 OUTLIER -46.79 151.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.408 ' CB ' ' OE1' ' A' ' 37' ' ' GLU . 7.1 pm0 -139.5 160.54 39.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 m 65.47 -94.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 109.965 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.28 31.33 1.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.455 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -67.98 175.59 1.69 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 110.326 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -74.94 172.74 15.76 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.467 1.772 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 109.74 2.99 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.496 1.787 . . . . 0.0 111.043 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.535 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 1.7 p -140.56 140.9 35.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.429 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.602 HG22 ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -140.65 169.05 18.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.478 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -167.48 157.81 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.9 m -77.22 130.69 37.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.7 m -89.94 169.21 11.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 108.324 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 20' ' ' GLU . 12.8 m -68.25 -149.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.043 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.27 57.05 0.18 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.12 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.467 ' OE1' ' N ' ' A' ' 22' ' ' ASN . 0.9 OUTLIER -127.5 141.78 51.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 0.765 . . . . 0.0 110.307 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.805 ' HA ' HD11 ' A' ' 1' ' ' LEU . 50.4 p -127.23 31.17 5.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.492 ' ND2' ' C ' ' A' ' 21' ' ' THR . 2.5 m-80 -149.54 154.06 38.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.52 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 31.3 m -145.19 141.69 28.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.328 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.559 ' CE2' HD12 ' A' ' 51' ' ' LEU . 15.2 p90 -134.17 159.88 39.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -124.33 153.75 41.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -144.03 145.07 31.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.552 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 19.0 p90 -150.1 159.66 44.24 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.876 ' CZ2' HG22 ' A' ' 35' ' ' ILE . 14.8 p90 -160.28 134.28 7.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 108.013 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.0 p -86.19 149.11 25.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -161.94 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -50.3 -62.84 1.35 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 109.594 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -138.02 53.07 1.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.44 -172.37 34.5 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.565 1.166 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.3 m -149.06 123.56 9.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 110.412 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.876 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 40.3 mm -99.53 140.54 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.542 HD11 ' HB2' ' A' ' 27' ' ' TRP . 4.4 mm -127.4 149.87 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' OE1' ' CB ' ' A' ' 7' ' ' GLN . 41.6 tp10 -159.31 139.34 11.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 110.248 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 1.052 ' NH2' ' O ' ' A' ' 61' ' ' ASN . 2.1 mpt_? -130.52 157.78 41.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -170.05 -179.96 41.96 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.443 1.09 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 1.174 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 54.8 m -96.92 172.97 7.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.81 -157.19 33.8 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 54.0 t -160.34 85.29 1.98 Allowed Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.536 ' HD3' ' CE1' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -75.01 177.73 8.2 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.525 1.803 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.1 123.12 29.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.6 p -79.47 112.57 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -84.15 162.65 51.08 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.399 1.062 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 134.86 18.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.428 1.751 . . . . 0.0 111.043 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.15 -31.59 8.19 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 69.9 t -106.79 140.83 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.565 0.803 . . . . 0.0 109.309 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.552 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 31.7 m-80 -90.22 135.96 33.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.221 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.559 HD12 ' CE2' ' A' ' 24' ' ' TYR . 6.5 tt -156.35 138.69 14.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.441 ' N ' HD22 ' A' ' 51' ' ' LEU . 6.7 t-20 -135.89 137.41 41.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.2 m -104.4 143.65 32.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.3 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -149.27 164.08 35.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 108.3 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.449 ' NE ' ' OD1' ' A' ' 22' ' ' ASN . 53.7 mtp180 -122.65 22.87 9.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.472 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -107.48 146.62 31.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.399 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.38 139.83 58.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.56 ' CD ' ' NE2' ' A' ' 4' ' ' HIS . 4.5 mtm180 49.87 28.92 3.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.606 1.191 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 56' ' ' THR . 20.9 p -68.6 -30.6 69.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.454 1.096 . . . . 0.0 108.271 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.514 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 15.8 p30 -94.99 84.69 4.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 1.052 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 9.8 p-10 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.513 ' CD2' ' SG ' ' A' ' 23' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 3.1 tt0 -101.46 118.37 36.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.838 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 72.1 m -111.39 156.08 22.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.291 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.789 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 2.9 m-70 -66.2 165.14 14.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.602 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -127.03 -41.9 1.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.241 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.505 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -48.4 150.97 1.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.268 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.447 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 14.2 tm0? -128.36 152.99 47.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m 60.43 -96.93 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -133.86 40.75 3.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.569 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -73.61 178.74 1.42 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.404 1.065 . . . . 0.0 110.255 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.569 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.0 Cg_endo -75.07 174.03 13.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.458 1.767 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 106.65 2.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.2 p -138.73 138.78 37.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.524 ' HG1' ' CZ ' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -132.62 168.05 18.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.376 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -164.32 158.99 19.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 m -93.54 128.3 39.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.377 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -88.37 160.79 17.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 108.322 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 19' ' ' GLY . 61.8 p -103.09 147.75 26.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 18' ' ' SER . . . 34.85 49.96 0.77 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.462 ' OE2' ' N ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -160.63 143.16 12.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 0.78 . . . . 0.0 110.275 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.465 ' C ' ' ND2' ' A' ' 22' ' ' ASN . 2.0 t -140.56 44.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.43 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.465 ' ND2' ' C ' ' A' ' 21' ' ' THR . 4.0 m-80 -150.52 151.42 32.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.513 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 4.0 m -142.48 143.59 32.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 108.382 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.545 ' CZ ' ' HG3' ' A' ' 43' ' ' PRO . 19.0 p90 -133.56 160.02 38.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.06 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' NZ ' ' O ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -125.6 146.78 49.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -141.44 138.22 32.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.375 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 22.6 p90 -150.68 159.65 44.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 107.956 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.78 ' CH2' HG23 ' A' ' 35' ' ' ILE . 9.6 p90 -160.55 129.56 4.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 107.971 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -81.17 140.69 34.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.985 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.436 ' OD2' ' C ' ' A' ' 33' ' ' GLY . 4.1 p30 -105.93 -164.9 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -47.69 -61.03 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 109.593 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -140.15 55.14 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.235 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.436 ' C ' ' OD2' ' A' ' 30' ' ' ASP . . . -169.03 -173.26 36.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.125 . . . . 0.0 111.059 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.7 m -149.85 123.36 9.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 0.798 . . . . 0.0 110.281 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.78 HG23 ' CH2' ' A' ' 28' ' ' TRP . 4.6 mp -100.25 139.4 21.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.553 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.5 mp -131.94 150.84 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.43 ' HG2' ' CG ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -160.56 132.22 5.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.553 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 1.9 mpt_? -126.3 155.02 42.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.28 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.26 -175.62 39.83 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.441 1.088 . . . . 0.0 111.061 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.838 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 82.2 m -92.0 172.36 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.462 ' N ' ' OE2' ' A' ' 20' ' ' GLU . . . 83.03 -162.8 41.01 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 49.7 t -153.26 96.12 2.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.545 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -75.03 175.7 10.9 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.447 1.762 . . . . 0.0 110.978 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -84.56 135.13 34.34 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.686 ' HA ' HD22 ' A' ' 51' ' ' LEU . 34.9 m -79.26 112.57 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -97.53 157.11 35.33 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 143.45 28.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.552 1.817 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.32 -28.73 7.81 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.57 1.169 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 97.0 t -109.32 140.96 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.322 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -88.37 130.33 35.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.686 HD22 ' HA ' ' A' ' 45' ' ' VAL . 42.3 tp -146.45 135.39 22.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -139.79 141.15 36.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.1 m -115.29 147.1 40.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 108.283 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -153.01 160.55 43.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 108.299 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -117.73 20.48 13.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.467 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -101.11 145.46 28.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.417 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -62.63 136.81 58.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.653 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 2.3 ttt180 48.98 30.45 2.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.467 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 20.0 p -70.26 -26.48 63.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 108.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.505 ' HB2' ' CG ' ' A' ' 38' ' ' ARG . 27.2 p30 -94.14 84.4 4.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.837 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 15.8 t30 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.637 HD12 ' HB ' ' A' ' 21' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.692 ' HG3' HG23 ' A' ' 14' ' ' THR . 11.0 pt-20 -107.55 123.43 48.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.123 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 83.2 m -105.65 165.02 11.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 108.221 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.643 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 2.0 m-70 -68.29 167.08 15.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.569 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -131.08 -42.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.323 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.535 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -48.32 150.27 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.15 150.42 49.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' ILE . 1.6 m 64.17 -96.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.018 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.27 37.67 2.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.031 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.564 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -71.15 178.67 1.12 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.564 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -75.02 174.32 12.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 107.44 2.48 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.409 1.742 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 p -140.49 141.1 35.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.692 HG23 ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -134.39 173.28 11.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.383 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' HZ2' ' HA ' ' A' ' 17' ' ' CYS . 0.4 OUTLIER -167.29 145.64 4.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.2 m -71.34 131.18 43.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.452 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.44 ' HA ' ' HZ2' ' A' ' 15' ' ' LYS . 41.9 m -92.95 157.16 16.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 108.269 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.422 ' C ' ' N ' ' A' ' 20' ' ' GLU . 68.5 p -69.96 -149.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -46.16 -19.97 0.46 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' A' ' 22' ' ' ASN . 2.1 tm-20 -76.41 118.73 19.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 0.736 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.637 ' HB ' HD12 ' A' ' 1' ' ' LEU . 53.6 p -115.3 47.19 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 110.425 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.461 ' N ' ' OE1' ' A' ' 20' ' ' GLU . 1.9 m-80 -144.61 152.52 40.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 1.4 m -140.1 143.67 36.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 108.287 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.526 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 4.1 p90 -137.13 158.01 45.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.413 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -121.56 156.49 32.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.924 ' HB3' HD13 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -148.79 139.35 22.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 21.5 p90 -150.42 158.36 44.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 107.994 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.626 ' CH2' HG23 ' A' ' 35' ' ' ILE . 13.3 p90 -161.28 132.33 5.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 107.988 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -81.3 138.31 35.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.537 ' OD2' ' CA ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -108.63 -168.58 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.95 -64.67 0.66 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.106 . . . . 0.0 109.636 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.527 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 4.7 ttm180 -136.98 59.57 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.537 ' CA ' ' OD2' ' A' ' 30' ' ' ASP . . . 179.73 -177.86 48.34 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.7 m -145.66 123.24 11.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 110.458 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.626 HG23 ' CH2' ' A' ' 28' ' ' TRP . 49.6 mm -97.11 138.92 20.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.523 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.2 mp -131.25 150.64 34.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.098 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.421 ' HA ' ' OE1' ' A' ' 37' ' ' GLU . 3.1 tp10 -157.07 148.79 22.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.523 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 2.0 mpt_? -141.1 153.4 45.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.31 -172.91 36.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.571 1.169 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 1.123 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.8 OUTLIER -98.71 168.15 10.33 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.31 -160.48 28.17 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.467 1.104 . . . . 0.0 110.989 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.8 t -161.28 87.02 1.66 Allowed Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.513 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -74.93 -179.57 5.09 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.8 . . . . 0.0 111.046 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.25 136.41 34.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.387 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.723 HG11 HD22 ' A' ' 51' ' ' LEU . 25.6 m -78.62 114.95 19.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -92.39 156.52 41.49 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 138.8 23.44 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.584 1.834 . . . . 0.0 111.046 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.59 -29.42 9.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.1 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.7 t -107.32 137.51 38.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -90.92 135.07 33.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.924 HD13 ' HB3' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -150.45 139.54 21.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -135.19 136.19 41.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.3 m -107.93 143.39 36.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 108.228 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -153.02 161.98 41.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 108.331 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -120.62 22.79 11.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.46 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -103.31 148.12 26.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 110.397 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.03 137.28 58.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.643 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 6.5 mtm180 47.29 30.56 1.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.46 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 18.2 p -69.52 -26.43 64.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 108.331 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.479 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 26.3 p-10 -95.49 82.64 3.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.783 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 11.1 p30 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.466 HD22 ' SG ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 4.8 tt0 -95.45 122.75 38.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.466 ' SG ' HD22 ' A' ' 1' ' ' LEU . 93.5 m -129.51 167.72 17.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 108.261 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.651 ' CE1' ' CD ' ' A' ' 58' ' ' ARG . 89.5 m-70 -71.71 157.87 37.16 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.548 1.155 . . . . 0.0 109.647 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.526 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 0.6 OUTLIER -123.63 -37.62 2.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.497 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 1.1 pt20 -37.52 146.45 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 36' ' ' ILE . 2.0 tt0 -124.97 151.56 45.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.417 ' CA ' ' HB ' ' A' ' 36' ' ' ILE . 1.5 m 64.88 -95.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.4 m -135.7 33.18 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.985 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.524 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -64.83 177.52 0.59 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 110.296 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.524 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -74.99 171.97 17.28 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.448 1.762 . . . . 0.0 110.943 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 86.53 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.397 1.735 . . . . 0.0 111.035 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.526 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 1.6 p -115.48 141.5 47.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 m -129.68 169.62 14.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.408 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -166.86 161.89 15.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.4 m -84.35 143.93 29.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.426 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 19.3 m -97.53 -179.97 4.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 108.307 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.412 ' C ' ' N ' ' A' ' 20' ' ' GLU . 3.4 m -96.69 -149.62 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 110.011 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -49.24 -18.88 1.48 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 22' ' ' ASN . 2.0 tm-20 -77.48 123.7 26.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.751 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 t -111.29 38.81 2.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.356 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.468 ' N ' ' OE1' ' A' ' 20' ' ' GLU . 3.3 m-80 -143.56 154.6 43.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.407 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 1.8 m -149.53 146.33 27.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 108.314 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.548 ' CD2' HD22 ' A' ' 51' ' ' LEU . 24.1 p90 -135.68 160.36 38.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.484 ' NZ ' HD21 ' A' ' 52' ' ' ASN . 0.6 OUTLIER -126.68 137.52 53.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -131.39 142.49 50.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.528 ' HB2' HD11 ' A' ' 36' ' ' ILE . 16.4 p90 -150.14 159.74 44.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 107.981 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.735 ' CH2' HG23 ' A' ' 35' ' ' ILE . 11.7 p90 -160.43 133.95 6.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.2 p -86.09 142.28 28.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.008 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.53 -163.97 0.94 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -52.22 -64.36 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.573 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -133.85 51.9 2.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.14 -171.47 34.89 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.491 HG21 HD12 ' A' ' 36' ' ' ILE . 7.5 m -155.46 121.76 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 110.43 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.735 HG23 ' CH2' ' A' ' 28' ' ' TRP . 46.9 mm -96.62 141.47 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.586 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 4.0 mm -128.82 153.24 38.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -159.51 143.5 14.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.285 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.664 ' NE ' ' O ' ' A' ' 61' ' ' ASN . 1.6 mpt_? -148.75 156.82 42.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.584 1.178 . . . . 0.0 110.296 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.59 -177.67 48.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.75 -178.92 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.404 ' HA2' ' CD ' ' A' ' 20' ' ' GLU . . . 77.39 -171.71 55.15 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -160.59 86.07 1.87 Allowed Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -178.13 3.96 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.792 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.14 135.16 35.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.504 HG21 ' O ' ' A' ' 45' ' ' VAL . 10.6 m -79.03 113.51 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.34 154.28 48.85 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 137.33 21.49 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.92 -28.82 12.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.577 1.173 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 38.8 t -114.4 146.4 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.417 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 9.0 m-20 -92.81 135.97 33.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.548 HD22 ' CD2' ' A' ' 24' ' ' TYR . 1.3 tt -148.29 146.62 28.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.484 HD21 ' NZ ' ' A' ' 25' ' ' LYS . 11.9 t-20 -141.74 133.24 26.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.241 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.54 142.97 43.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 0.0 108.346 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -158.79 161.58 36.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 108.324 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -117.8 23.22 11.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.434 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -101.8 147.47 26.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.428 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.25 139.02 58.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.651 ' CD ' ' CE1' ' A' ' 4' ' ' HIS . 10.8 mtm180 48.59 29.31 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.434 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 13.8 p -78.55 -25.42 45.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 108.263 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.431 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 46.4 p-10 -96.51 80.53 3.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.399 1.062 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 1.018 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 33.1 t-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.481 ' CD2' ' SG ' ' A' ' 23' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.726 ' HG3' HG23 ' A' ' 14' ' ' THR . 5.0 pt-20 -104.81 121.63 44.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.522 ' O ' HG21 ' A' ' 14' ' ' THR . 84.6 m -107.05 156.96 18.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 108.247 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.73 ' CD2' ' HB3' ' A' ' 61' ' ' ASN . 1.2 m-70 -69.17 162.28 27.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.559 1.162 . . . . 0.0 109.571 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -129.64 -43.93 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 11' ' ' PRO . 0.5 OUTLIER -49.96 152.71 1.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -140.57 159.59 41.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.069 . . . . 0.0 110.309 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.515 ' O ' HD11 ' A' ' 36' ' ' ILE . 2.9 m 64.31 -93.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.599 1.187 . . . . 0.0 109.969 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.4 p -141.08 38.14 1.76 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.445 1.091 . . . . 0.0 109.99 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.442 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -75.98 174.81 4.98 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -75.01 173.56 14.3 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.433 1.754 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 105.73 2.14 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.0 p -138.3 138.16 38.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.591 1.182 . . . . 0.0 110.416 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.726 HG23 ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -135.16 166.97 21.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 110.444 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 8.0 tttt -155.71 158.74 38.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.235 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 m -85.63 131.85 34.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.445 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.0 m -96.77 151.52 19.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.339 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.3 p -117.98 138.19 52.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.981 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.28 -48.74 3.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.49 ' OE1' ' O ' ' A' ' 22' ' ' ASN . 1.0 OUTLIER -85.26 154.2 22.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.528 0.781 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.495 ' C ' ' ND2' ' A' ' 22' ' ' ASN . 10.5 t -140.04 39.67 1.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.429 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.495 ' ND2' ' C ' ' A' ' 21' ' ' THR . 2.5 m-80 -149.69 151.09 33.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.487 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 3.7 m -135.36 143.06 45.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 108.298 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.545 ' CE2' ' HD3' ' A' ' 43' ' ' PRO . 14.0 p90 -138.99 157.53 45.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.402 1.064 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -122.93 149.79 43.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -143.33 139.69 30.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 15.6 p90 -150.12 158.1 43.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.46 ' CZ2' HG23 ' A' ' 35' ' ' ILE . 11.3 p90 -161.52 132.65 5.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.032 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -87.81 134.71 33.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.943 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 33' ' ' GLY . 0.6 OUTLIER -100.17 -166.62 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.594 1.184 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.412 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 2.2 m170 -45.86 -66.78 0.35 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.554 1.159 . . . . 0.0 109.513 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.545 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -133.04 56.04 1.87 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.547 1.154 . . . . 0.0 110.274 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.534 ' N ' ' OD1' ' A' ' 30' ' ' ASP . . . -172.39 -172.88 38.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 m -154.82 119.32 4.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 0.734 . . . . 0.0 110.427 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.46 HG23 ' CZ2' ' A' ' 28' ' ' TRP . 30.6 mm -99.85 136.63 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.656 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.7 mp -130.65 150.67 34.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.45 1.094 . . . . 0.0 109.385 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.48 143.09 17.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.656 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 2.1 mpt_? -138.15 158.25 44.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.157 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.65 -175.48 47.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.434 1.084 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 18.7 m -88.61 167.63 13.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.4 ' HA2' ' OE2' ' A' ' 20' ' ' GLU . . . 95.73 -162.8 23.35 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.2 t -161.16 90.38 1.56 Allowed Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.545 ' HD3' ' CE2' ' A' ' 24' ' ' TYR . 18.5 Cg_endo -74.93 176.55 9.74 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.603 1.843 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.93 133.31 34.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.524 ' CA ' HD22 ' A' ' 51' ' ' LEU . 6.5 p -79.3 108.55 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.7 158.87 50.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 126.96 10.34 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.49 1.784 . . . . 0.0 111.061 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.64 -33.01 6.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 64.2 t -102.72 136.86 33.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 0.773 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -89.02 132.81 34.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.524 HD22 ' CA ' ' A' ' 45' ' ' VAL . 4.9 tp -150.32 138.69 20.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -139.62 137.12 35.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 86.4 m -110.88 144.4 39.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 108.32 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.81 161.69 42.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 108.286 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -114.08 21.07 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.361 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.475 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -100.01 146.34 26.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.172 . . . . 0.0 110.376 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.406 ' OD2' ' HG2' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -62.58 135.48 57.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.644 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 3.2 ttm180 48.68 30.87 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.475 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 15.1 p -72.05 -22.02 61.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 108.323 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.487 ' ND2' ' HB3' ' A' ' 23' ' ' CYS . 8.8 p30 -91.69 85.98 5.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.73 ' HB3' ' CD2' ' A' ' 4' ' ' HIS . 19.3 p-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.48 HD12 ' CA ' ' A' ' 21' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.599 ' HG2' HG23 ' A' ' 14' ' ' THR . 7.6 tt0 -105.9 112.7 25.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.173 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 86.3 m -106.78 152.52 23.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 108.269 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.595 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 12.6 m-70 -68.47 157.61 35.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.625 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.521 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 1.8 p30 -123.92 -37.77 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.535 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -33.75 144.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.314 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.456 ' HG2' ' N ' ' A' ' 8' ' ' SER . 1.2 tm0? -122.95 144.76 49.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.354 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 36' ' ' ILE . 1.6 m 64.52 -95.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 110.044 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.5 p -134.6 33.18 3.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.985 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.529 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -62.98 179.13 0.32 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.1 Cg_endo -74.97 174.35 12.93 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.483 1.781 . . . . 0.0 111.058 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.535 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 18.2 Cg_endo -75.05 85.04 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.521 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 1.9 p -114.43 141.2 47.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.447 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.616 ' HG1' ' HD2' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -131.55 168.26 17.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.25 145.07 9.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.7 m -77.4 128.45 34.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.449 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.5 m -90.63 167.9 12.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 0.0 108.202 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 p -129.38 137.83 51.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.027 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.65 -50.09 2.11 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' OE1' ' ND2' ' A' ' 22' ' ' ASN . 6.8 tp10 -87.12 139.34 30.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 0.79 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.48 ' CA ' HD12 ' A' ' 1' ' ' LEU . 65.5 p -127.43 42.96 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.378 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.462 ' ND2' ' C ' ' A' ' 21' ' ' THR . 2.2 m-80 -146.21 160.36 42.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.216 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.494 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 1.1 m -140.15 143.09 35.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 108.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.562 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 30.4 p90 -138.06 159.38 42.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.546 ' CD ' ' HA ' ' A' ' 60' ' ' ASN . 2.5 mttp -114.63 146.44 40.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -143.26 128.14 18.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.51 ' CE2' ' HB3' ' A' ' 50' ' ' ASN . 17.6 p90 -150.76 162.01 41.55 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.42 ' HB3' HG11 ' A' ' 49' ' ' VAL . 19.1 p90 -157.37 131.25 8.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 107.992 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.5 p -81.9 134.24 35.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.983 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.443 ' OD2' ' HA3' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -101.3 -169.6 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 109.194 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -46.31 -62.86 1.17 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.388 1.055 . . . . 0.0 109.568 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.544 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -135.62 54.3 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.443 ' HA3' ' OD2' ' A' ' 30' ' ' ASP . . . -171.22 -179.13 42.16 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.597 1.185 . . . . 0.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.8 m -150.24 121.71 7.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 0.725 . . . . 0.0 110.42 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.8 mt -99.87 132.62 45.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.347 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.585 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 1.8 mp -125.84 152.31 32.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -160.85 154.56 22.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.585 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 1.9 mpt_? -140.61 154.95 46.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.39 -175.65 38.74 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 1.173 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.3 m -97.49 156.49 16.47 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.15 -159.78 19.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.6 t -158.91 96.75 1.72 Allowed Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.563 ' HG2' HD12 ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.98 179.58 5.95 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.46 1.769 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.72 131.85 34.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.245 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 45' ' ' VAL . 30.5 m -79.5 112.56 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.408 ' HG3' ' HD2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -99.43 152.58 37.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.408 ' HD2' ' HG3' ' A' ' 46' ' ' LYS . 18.2 Cg_endo -75.06 131.35 14.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.566 1.824 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.32 -35.01 5.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.42 HG11 ' HB3' ' A' ' 28' ' ' TRP . 96.4 t -104.67 144.02 15.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.51 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 74.9 m-20 -89.81 136.4 33.06 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.563 HD12 ' HG2' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -155.52 141.71 18.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.406 ' O ' ' HB2' ' A' ' 24' ' ' TYR . 18.5 t-20 -137.67 141.63 41.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 54.2 m -116.67 144.95 43.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 108.318 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -153.44 161.14 42.57 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 0.0 108.279 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.4 ' HG2' ' OD1' ' A' ' 22' ' ' ASN . 4.3 mtt180 -118.57 19.76 13.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.455 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -103.87 146.06 29.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.407 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -63.62 141.52 58.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.616 ' HD2' ' HG1' ' A' ' 14' ' ' THR . 33.8 mtp180 48.45 24.27 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.23 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.455 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 19.7 p -69.47 -24.97 63.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.608 1.193 . . . . 0.0 108.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.546 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 18.3 p-10 -94.05 81.73 4.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 1.131 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 3.6 t-20 . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.51 ' CD2' ' SG ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -98.4 112.13 24.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.647 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 75.3 m -110.84 162.74 14.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 108.277 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.558 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 0.8 OUTLIER -68.63 164.44 21.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.628 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -127.34 -45.54 1.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.567 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.7 OUTLIER -38.76 145.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 110.191 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.19 153.12 36.72 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m 58.14 -96.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 110.012 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 p -133.5 43.09 2.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.005 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.562 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 1.0 OUTLIER -74.78 178.37 1.78 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.567 ' O ' ' HB3' ' A' ' 6' ' ' GLN . 18.5 Cg_endo -74.91 174.5 12.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.544 1.812 . . . . 0.0 111.039 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 105.01 2.0 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.559 1.82 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.454 ' O ' ' ND1' ' A' ' 4' ' ' HIS . 2.0 p -140.02 141.77 36.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.561 ' HG1' ' CZ ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -130.56 173.97 10.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.423 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.62 147.2 6.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 m -84.07 127.96 34.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.403 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.7 m -91.52 158.25 16.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 108.269 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.8 p -108.81 153.41 23.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.939 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 39.75 29.94 0.19 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -152.0 127.83 10.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.2 t -127.24 47.77 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.384 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -143.11 160.86 39.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.51 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 79.5 m -134.7 139.47 45.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 108.314 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.56 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 2.2 p90 -139.12 160.02 40.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.528 ' CE ' ' O ' ' A' ' 59' ' ' CYS . 1.0 OUTLIER -134.08 141.7 47.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.495 ' HB3' HD22 ' A' ' 51' ' ' LEU . 3.6 ptmt -142.62 128.71 19.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.1 p90 -146.83 162.4 38.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 108.037 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 7.6 p90 -159.37 133.35 7.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -84.37 144.21 28.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.962 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 33' ' ' GLY . 2.1 p30 -109.85 -167.77 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -44.93 -67.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.644 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.524 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -133.23 56.5 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.497 ' N ' ' OD1' ' A' ' 30' ' ' ASP . . . -170.04 -174.06 37.93 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.2 m -156.4 118.94 4.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 0.772 . . . . 0.0 110.399 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.3 mm -101.02 132.3 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.248 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.7 mp -119.34 150.79 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.262 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.427 ' HA ' ' OE1' ' A' ' 37' ' ' GLU . 5.7 tp10 -149.42 153.77 37.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 1.029 ' NH2' ' HA ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -144.39 164.0 32.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 179.39 -171.36 43.17 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.461 1.1 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.647 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 43.1 m -107.97 155.18 20.62 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.58 -160.73 18.92 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.456 1.097 . . . . 0.0 111.037 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.8 t -150.24 92.12 4.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 177.87 8.03 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.496 1.787 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -84.07 132.96 34.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.145 . . . . 0.0 109.246 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.598 ' HB ' HD13 ' A' ' 51' ' ' LEU . 2.7 p -79.39 113.37 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.95 153.39 39.9 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 136.78 20.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.451 1.763 . . . . 0.0 111.047 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.67 -21.96 43.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.556 1.16 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 86.6 t -116.66 142.29 31.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.437 0.728 . . . . 0.0 109.299 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.48 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -86.39 132.35 33.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.635 HD21 ' N ' ' A' ' 52' ' ' ASN . 2.1 tm? -147.58 132.34 17.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.222 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.635 ' N ' HD21 ' A' ' 51' ' ' LEU . 37.6 t-20 -133.27 146.88 51.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.243 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 64.1 m -117.83 144.66 45.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.105 . . . . 0.0 108.373 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.8 p -158.12 165.01 36.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.565 1.166 . . . . 0.0 108.358 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -124.46 25.51 7.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.492 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 0.9 OUTLIER -104.09 145.3 30.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.486 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.3 136.15 51.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.561 ' CZ ' ' HG1' ' A' ' 14' ' ' THR . 0.3 OUTLIER 58.98 19.38 7.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.254 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.528 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 1.4 p -69.74 -10.41 58.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 108.226 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.504 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -90.33 82.15 5.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 1.029 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 35.0 p-10 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.475 ' HG3' ' CG2' ' A' ' 14' ' ' THR . 1.8 pt-20 -100.43 130.18 46.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.416 ' SG ' ' OD1' ' A' ' 60' ' ' ASN . 1.7 m -128.57 167.96 16.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 108.357 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.637 ' CD2' ' CG ' ' A' ' 58' ' ' ARG . 27.7 m-70 -71.63 154.3 41.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.074 . . . . 0.0 109.524 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.536 ' OD1' ' OG1' ' A' ' 13' ' ' THR . 1.9 p30 -119.64 -35.17 3.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.52 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 0.9 OUTLIER -45.71 150.49 0.51 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.423 1.077 . . . . 0.0 110.235 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.406 ' HG2' ' OE1' ' A' ' 37' ' ' GLU . 6.2 mt-30 -130.4 157.21 43.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.26 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.511 ' O ' HD13 ' A' ' 36' ' ' ILE . 1.7 m 60.62 -97.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.2 m -134.64 40.08 2.98 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.508 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -73.18 176.89 2.25 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.508 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -75.1 171.11 18.95 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.506 1.793 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.52 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 18.4 Cg_endo -74.99 99.25 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.449 1.763 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.536 ' OG1' ' OD1' ' A' ' 5' ' ' ASN . 1.6 p -130.28 140.72 50.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.4 1.063 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.475 ' CG2' ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -136.96 164.19 28.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 110.42 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 4.7 pttp -163.03 153.37 16.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 m -86.8 124.37 32.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 55.8 m -86.73 150.03 24.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 108.283 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.94 146.35 45.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 0.0 109.963 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.06 -50.2 4.13 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.456 ' OE2' ' N ' ' A' ' 21' ' ' THR . 6.9 tp10 -91.44 133.29 35.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 0.725 . . . . 0.0 110.298 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.456 ' N ' ' OE2' ' A' ' 20' ' ' GLU . 72.6 p -116.33 44.01 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.375 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.403 ' ND2' ' C ' ' A' ' 21' ' ' THR . 4.9 m-80 -148.69 169.43 20.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 87.5 m -148.03 146.42 28.88 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.495 1.122 . . . . 0.0 108.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.591 ' CG ' ' CD ' ' A' ' 43' ' ' PRO . 18.5 p90 -140.59 155.28 46.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.78 143.09 49.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HB3' HD22 ' A' ' 51' ' ' LEU . 6.0 ptmt -138.93 141.87 38.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 16.2 p90 -150.55 159.79 44.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.168 . . . . 0.0 107.993 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.924 ' CZ2' HG22 ' A' ' 35' ' ' ILE . 11.3 p90 -159.33 138.26 11.02 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 p -91.81 137.57 32.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.969 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.44 ' OD2' ' C ' ' A' ' 33' ' ' GLY . 4.0 p30 -97.62 -167.22 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -47.71 -62.79 1.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.578 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -135.23 54.36 1.93 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.477 1.111 . . . . 0.0 110.363 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.44 ' C ' ' OD2' ' A' ' 30' ' ' ASP . . . -167.85 -179.66 40.62 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.456 1.098 . . . . 0.0 110.993 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.0 m -140.89 119.41 12.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 0.72 . . . . 0.0 110.423 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.924 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 4.6 mp -96.67 141.5 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.511 HD13 ' O ' ' A' ' 8' ' ' SER . 77.4 mt -126.17 150.8 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 38' ' ' ARG . 3.2 tp10 -154.65 144.2 21.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.502 ' HG2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -141.17 165.06 28.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.42 -175.47 47.44 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 4.6 m -105.44 155.28 19.29 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.41 -159.53 19.24 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 49.7 t -147.74 89.3 5.39 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.591 ' CD ' ' CG ' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -75.02 173.31 14.74 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.436 1.756 . . . . 0.0 110.999 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -84.61 137.62 33.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.162 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 p -79.3 112.61 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.205 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -86.87 156.76 55.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 124.84 8.92 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.62 -37.95 3.57 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.453 1.096 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 69.4 t -98.48 139.79 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.36 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.8 OUTLIER -84.15 132.41 34.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.528 HD11 ' C ' ' A' ' 51' ' ' LEU . 3.3 tm? -141.23 132.9 27.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.433 ' N ' HD11 ' A' ' 51' ' ' LEU . 5.7 t-20 -134.9 140.41 45.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 61.2 m -110.19 145.48 37.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 108.354 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' CYS . 1.5 p -158.63 160.37 36.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 108.352 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -124.84 24.25 7.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.513 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 1.2 p -101.26 147.63 26.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.601 1.188 . . . . 0.0 110.381 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.81 130.42 43.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.637 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 9.8 ttp-105 62.41 29.59 17.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.363 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.513 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.5 p -73.44 -6.58 47.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 108.268 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.502 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -93.52 82.97 4.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.689 ' OXT' ' CG ' ' A' ' 61' ' ' ASN . 24.7 p-10 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.453 ' CD2' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.516 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 5.4 tt0 -97.97 119.2 36.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.453 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 71.9 m -121.18 161.03 22.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 108.258 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.619 ' CE1' ' HD3' ' A' ' 58' ' ' ARG . 72.6 m-70 -70.72 153.97 42.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.627 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.536 ' OD1' ' OG1' ' A' ' 13' ' ' THR . 3.2 p30 -122.62 -35.4 3.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.409 1.068 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.526 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 1.8 pt20 -47.52 152.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 110.238 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.439 ' HG2' ' OE1' ' A' ' 37' ' ' GLU . 25.7 mt-30 -137.01 157.67 46.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.486 ' CA ' ' HB ' ' A' ' 36' ' ' ILE . 1.6 m 65.07 -96.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.946 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.8 p -137.06 33.95 2.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.034 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.487 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.2 mt-30 -69.42 175.55 2.12 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.487 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -75.03 171.38 18.44 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.422 1.749 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.526 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 18.0 Cg_endo -75.05 91.18 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.801 . . . . 0.0 110.949 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.536 ' OG1' ' OD1' ' A' ' 5' ' ' ASN . 1.6 p -120.35 140.75 50.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.577 ' HG1' ' CZ ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -128.69 166.91 18.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.443 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -156.31 155.37 32.15 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.7 m -93.86 126.48 39.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.1 m -98.25 151.26 20.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 108.281 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -126.61 144.44 50.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.454 1.096 . . . . 0.0 110.006 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.63 -41.01 3.07 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.448 ' OE2' ' ND2' ' A' ' 22' ' ' ASN . 6.3 tp10 -110.84 126.64 54.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 0.736 . . . . 0.0 110.269 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.464 ' C ' ' ND2' ' A' ' 22' ' ' ASN . 68.6 p -106.35 41.17 1.47 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.398 1.061 . . . . 0.0 110.43 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.464 ' ND2' ' C ' ' A' ' 21' ' ' THR . 3.4 m-80 -149.7 161.55 41.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.07 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 41.9 m -150.59 156.21 40.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.392 1.057 . . . . 0.0 108.312 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.567 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 26.5 p90 -140.27 161.14 38.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 0.0 111.041 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.66 153.47 46.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 2.4 ptpt -150.38 142.14 23.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.615 ' HB2' HD11 ' A' ' 36' ' ' ILE . 20.3 p90 -150.72 159.72 44.33 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.671 ' CZ2' HG23 ' A' ' 35' ' ' ILE . 15.5 p90 -160.15 132.8 6.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.057 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.8 p -84.66 152.85 23.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 110.006 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 32' ' ' ARG . 2.3 p30 -115.35 -161.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.06 -66.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.569 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.536 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 5.8 ttt180 -135.04 54.3 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.213 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.404 ' N ' ' OD1' ' A' ' 30' ' ' ASP . . . -166.25 -175.65 36.77 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.2 m -145.73 122.19 11.02 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.482 0.754 . . . . 0.0 110.389 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.671 HG23 ' CZ2' ' A' ' 28' ' ' TRP . 46.7 mm -99.19 140.73 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.615 HD11 ' HB2' ' A' ' 27' ' ' TRP . 8.7 mm -127.76 150.8 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 109.354 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.439 ' OE1' ' HG2' ' A' ' 7' ' ' GLN . 49.9 tp10 -157.29 140.72 15.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.349 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.645 ' CZ ' ' HA ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -141.09 160.54 39.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.87 -176.59 43.31 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 2.2 m -98.9 154.78 17.79 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.47 -165.82 19.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.556 1.16 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 50.3 t -151.44 87.69 4.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.567 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.2 Cg_endo -75.02 -178.95 4.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.575 1.829 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.73 125.62 31.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.818 HG22 ' HB3' ' A' ' 51' ' ' LEU . 14.4 p -78.37 113.46 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.375 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.26 153.59 46.57 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 137.59 21.79 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.433 1.754 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.04 -30.29 9.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.466 HG12 ' HB3' ' A' ' 28' ' ' TRP . 51.1 t -111.26 146.51 16.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.536 0.786 . . . . 0.0 109.34 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.443 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 76.8 m-20 -87.49 132.02 34.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.362 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.818 ' HB3' HG22 ' A' ' 45' ' ' VAL . 6.4 tt -153.03 138.37 17.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 0.0 109.392 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.688 ' N ' HD22 ' A' ' 51' ' ' LEU . 35.2 t-20 -137.49 139.32 40.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 21.8 m -109.4 143.77 38.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 108.279 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 p -156.74 163.91 38.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 108.246 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.4 ' HG2' ' OD1' ' A' ' 22' ' ' ASN . 31.1 mtt180 -121.81 17.63 11.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.436 ' O ' ' SG ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -99.71 148.97 23.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 2.3 m-20 -63.4 141.57 58.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.619 ' HD3' ' CE1' ' A' ' 4' ' ' HIS . 0.7 OUTLIER 48.02 24.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.362 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' A' ' 56' ' ' THR . 15.5 p -72.11 -27.22 62.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 108.315 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.44 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 35.9 p30 -94.99 84.39 4.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 1.084 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 10.7 p30 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.83 HD12 ' CA ' ' A' ' 21' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.515 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 12.8 pt-20 -101.58 118.7 37.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.459 ' C ' ' CG2' ' A' ' 14' ' ' THR . 64.9 m -103.97 153.07 21.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 108.328 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.578 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 7.9 m-70 -68.24 153.9 42.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.686 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.552 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 0.6 OUTLIER -121.88 -40.7 2.5 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.464 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -38.76 146.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.298 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.481 ' CG ' ' HG2' ' A' ' 37' ' ' GLU . 10.6 tm0? -121.95 148.77 44.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.357 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.557 ' N ' ' O ' ' A' ' 36' ' ' ILE . 1.8 m 63.55 -97.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.016 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.98 33.31 3.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.57 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 1.0 OUTLIER -63.01 178.94 0.33 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.406 1.066 . . . . 0.0 110.327 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.57 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -74.97 172.33 16.58 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.553 1.818 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 104.61 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.554 1.818 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.552 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 1.4 p -138.74 142.87 38.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.418 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.519 ' HG1' ' NE ' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -138.94 169.93 16.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.422 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -161.27 142.22 11.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m -67.3 130.78 44.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.602 1.189 . . . . 0.0 110.388 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.1 m -95.33 173.22 7.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 108.302 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.4 p -60.25 -157.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.051 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.3 57.41 0.44 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.471 1.107 . . . . 0.0 111.07 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.457 ' HG2' ' N ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -139.48 139.6 37.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.293 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.83 ' CA ' HD12 ' A' ' 1' ' ' LEU . 22.4 p -121.3 52.79 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.472 ' ND2' ' C ' ' A' ' 21' ' ' THR . 4.4 m-80 -152.74 156.9 40.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.468 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 8.9 m -144.92 155.39 43.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 108.294 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.605 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 4.7 p90 -133.98 160.47 37.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.509 ' O ' HD13 ' A' ' 51' ' ' LEU . 5.6 mttp -123.4 155.15 37.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 12.4 ptpt -148.56 131.86 16.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.527 ' CE2' ' HB3' ' A' ' 50' ' ' ASN . 34.3 p90 -150.57 161.11 43.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 107.976 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.671 ' CH2' HG22 ' A' ' 35' ' ' ILE . 15.8 p90 -159.78 141.09 12.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 108.0 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 76.1 p -91.15 146.89 23.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.43 ' OD2' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -115.86 -170.79 1.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 109.295 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.42 -61.14 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.639 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.75 55.61 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.43 ' HA3' ' OD2' ' A' ' 30' ' ' ASP . . . -174.74 -176.84 43.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 m -153.89 122.29 6.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.802 . . . . 0.0 110.361 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.671 HG22 ' CH2' ' A' ' 28' ' ' TRP . 3.8 mp -98.49 135.21 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.557 ' O ' ' N ' ' A' ' 8' ' ' SER . 2.0 mt -126.16 151.14 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.481 ' HG2' ' CG ' ' A' ' 7' ' ' GLN . 9.2 tm-20 -162.53 147.77 12.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.812 ' NH2' ' O ' ' A' ' 61' ' ' ASN . 2.0 mpt_? -120.11 170.89 8.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.482 ' HA3' ' CZ ' ' A' ' 24' ' ' TYR . . . -169.68 -179.92 41.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.71 149.92 28.31 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.71 -162.28 21.3 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.1 t -147.35 89.83 5.41 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.605 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -74.96 -179.97 5.5 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.418 1.746 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -83.82 140.18 32.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 45' ' ' VAL . 26.2 m -78.65 113.96 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.35 151.75 38.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.42 34.01 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.469 1.773 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.8 -7.5 62.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 110.947 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.1 t -129.72 140.02 50.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.527 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 1.5 m120 -88.54 130.32 35.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 25' ' ' LYS . 18.4 tp -137.96 138.8 39.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.457 ' CG ' ' NZ ' ' A' ' 25' ' ' LYS . 14.0 t-20 -129.44 146.75 51.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.2 m -128.99 140.75 51.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.256 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -153.45 162.58 41.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 108.262 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -121.11 19.86 11.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.431 ' O ' ' SG ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -107.56 145.28 33.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.382 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -64.0 143.06 58.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.578 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 0.1 OUTLIER 48.49 25.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 56' ' ' THR . 29.7 p -68.24 -28.76 67.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 108.309 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.548 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 15.3 p30 -89.53 89.23 7.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.364 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.812 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 13.7 t30 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.225 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.78 HD11 ' CA ' ' A' ' 21' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.662 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 13.6 pt-20 -96.27 120.7 37.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.61 1.194 . . . . 0.0 110.301 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.184 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 72.2 m -106.91 162.23 14.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 108.294 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 1.0 OUTLIER -67.5 160.57 27.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.601 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -130.31 -46.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.523 ' NE2' ' CE1' ' A' ' 4' ' ' HIS . 0.1 OUTLIER -39.33 148.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.406 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 8.7 tm0? -127.03 151.15 48.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.353 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m 62.46 -96.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 p -135.78 39.12 2.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.953 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.553 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.3 OUTLIER -71.95 177.61 1.64 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.553 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -74.89 174.6 12.47 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.504 1.792 . . . . 0.0 110.963 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 106.58 2.3 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.566 1.824 . . . . 0.0 110.99 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.2 p -141.42 139.93 33.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.646 HG22 ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -129.5 174.75 9.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.439 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.12 140.44 7.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 m -75.71 133.38 40.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.395 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.8 m -97.88 156.0 16.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 108.247 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 19' ' ' GLY . 3.7 t -103.59 150.48 23.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' SER . . . 34.84 42.9 0.37 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' A' ' 41' ' ' GLY . 1.0 OUTLIER -161.4 140.8 10.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 110.313 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.78 ' CA ' HD11 ' A' ' 1' ' ' LEU . 23.2 p -137.98 47.81 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.502 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.463 ' ND2' ' C ' ' A' ' 21' ' ' THR . 3.7 m-80 -149.83 152.95 35.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.5 m -145.93 150.74 36.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 108.311 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.576 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 15.9 p90 -139.89 156.28 46.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.447 1.092 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' CD ' ' HA ' ' A' ' 60' ' ' ASN . 1.7 pttm -128.01 143.69 51.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 10.7 ptmt -139.6 148.05 41.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.403 1.064 . . . . 0.0 109.369 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.438 ' HB2' HD11 ' A' ' 36' ' ' ILE . 17.1 p90 -150.46 159.18 44.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 108.01 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 7.7 p90 -160.89 131.26 5.18 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.0 p -82.89 149.95 26.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.449 ' OD1' ' C ' ' A' ' 33' ' ' GLY . 4.9 p-10 -113.18 -163.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -47.52 -61.6 1.84 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.594 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.35 57.27 1.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.349 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.449 ' C ' ' OD1' ' A' ' 30' ' ' ASP . . . -172.03 -173.16 38.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.444 HG21 HD12 ' A' ' 36' ' ' ILE . 3.0 m -149.35 119.88 7.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 0.741 . . . . 0.0 110.442 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.405 ' O ' HD11 ' A' ' 36' ' ' ILE . 4.1 mt -99.81 141.13 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.444 HD12 HG21 ' A' ' 34' ' ' THR . 4.9 mm -124.02 151.56 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.407 ' OE2' ' O ' ' A' ' 38' ' ' ARG . 30.5 tp10 -153.44 141.44 20.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 110.238 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.483 ' CZ ' ' HA ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -140.83 162.49 35.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.351 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -178.8 -178.0 47.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 1.184 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.9 OUTLIER -94.76 171.7 8.62 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.506 ' N ' ' OE1' ' A' ' 20' ' ' GLU . . . 81.75 -160.5 41.29 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.436 1.085 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.4 t -153.74 90.27 3.37 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.576 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -74.94 178.89 6.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.559 1.82 . . . . 0.0 111.041 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.93 127.55 33.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.725 HG22 ' HB3' ' A' ' 51' ' ' LEU . 10.0 p -78.92 114.88 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.383 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -91.57 157.46 41.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.578 1.174 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 135.28 18.73 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.472 1.775 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.8 -29.52 11.19 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.475 1.109 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 74.6 t -110.67 141.56 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.424 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 81.5 m-20 -88.66 131.1 35.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.725 ' HB3' HG22 ' A' ' 45' ' ' VAL . 8.2 tp -150.65 131.3 13.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.561 ' N ' HD11 ' A' ' 51' ' ' LEU . 5.9 t-20 -129.77 133.85 47.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.8 m -106.09 142.31 36.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 108.293 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.95 159.58 44.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 108.3 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -108.69 16.25 23.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.475 ' O ' ' SG ' ' A' ' 59' ' ' CYS . 1.2 p -103.11 143.1 33.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 110.368 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 1.9 m-20 -65.56 145.76 55.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.575 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 4.9 ttp180 49.15 22.33 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.475 ' SG ' ' O ' ' A' ' 56' ' ' THR . 15.4 p -72.68 -22.18 60.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.491 1.119 . . . . 0.0 108.401 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 7.2 p-10 -89.87 90.75 8.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 1.124 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 7.5 t-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.521 ' CD2' ' SG ' ' A' ' 23' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.488 ' CB ' ' OD1' ' A' ' 57' ' ' ASP . 1.7 tt0 -94.31 114.3 26.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.259 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 71.9 m -102.52 159.18 15.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.453 1.096 . . . . 0.0 108.34 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.656 ' CD2' ' CG ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -68.94 165.21 20.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.597 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -127.86 -46.62 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.544 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -38.31 144.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.341 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.419 ' CG ' ' HG2' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -120.64 153.78 36.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m 57.41 -95.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 p -135.01 42.53 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.566 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -73.57 178.47 1.54 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.566 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.0 Cg_endo -75.09 175.15 11.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.456 1.767 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 105.21 2.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.518 1.799 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.461 ' O ' ' ND1' ' A' ' 4' ' ' HIS . 7.4 p -141.48 139.39 33.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.378 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 3' ' ' CYS . 0.7 OUTLIER -132.38 170.78 14.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.553 1.158 . . . . 0.0 110.364 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -157.33 156.26 32.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -81.59 137.92 35.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 33.4 m -90.29 167.97 12.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 108.329 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -83.25 -161.61 0.52 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.018 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -38.4 -28.46 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.102 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.516 ' OE2' ' CA ' ' A' ' 41' ' ' GLY . 2.6 tt0 -78.37 133.26 37.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 0.0 110.229 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 21' ' ' THR . 10.1 t -121.05 72.25 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -147.6 160.99 42.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.521 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 99.3 m -141.7 140.16 33.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.534 1.146 . . . . 0.0 108.293 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.58 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 1.7 p90 -140.13 156.63 46.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.773 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -131.03 141.86 50.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -140.35 131.81 26.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.489 ' CE2' ' HB3' ' A' ' 50' ' ' ASN . 23.9 p90 -142.51 159.3 42.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 107.992 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.5 p90 -160.6 133.89 6.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 108.003 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.9 p -87.5 138.21 31.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.045 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.445 ' OD2' ' HA3' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -101.49 -170.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 109.283 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.8 -61.22 2.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.556 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.54 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 1.9 ttp-105 -134.78 56.48 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.347 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.445 ' HA3' ' OD2' ' A' ' 30' ' ' ASP . . . -177.45 -176.91 45.9 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.2 m -152.72 119.87 5.85 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.534 0.785 . . . . 0.0 110.438 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.8 mm -100.15 140.45 19.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.589 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.5 mp -125.82 150.31 31.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.39 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.419 ' HG2' ' CG ' ' A' ' 7' ' ' GLN . 4.7 tm-20 -149.76 148.64 29.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.589 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 2.1 mpt_? -144.65 161.3 39.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.62 -178.37 48.38 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.471 ' O ' ' CE2' ' A' ' 24' ' ' TYR . 6.8 m -86.62 168.0 14.03 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.516 ' CA ' ' OE2' ' A' ' 20' ' ' GLU . . . 82.16 -160.25 40.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.546 1.154 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.17 100.13 1.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.561 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -74.97 -178.3 4.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.525 1.802 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.95 136.73 35.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 45' ' ' VAL . 13.9 m -79.03 113.41 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.74 151.91 37.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 140.01 24.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.6 -15.5 61.89 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.5 t -124.3 147.91 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.409 0.711 . . . . 0.0 109.253 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.489 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 63.4 m-80 -94.89 132.18 39.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.773 HD13 ' O ' ' A' ' 25' ' ' LYS . 34.6 tp -145.06 142.43 29.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.491 ' H ' HD13 ' A' ' 51' ' ' LEU . 11.4 t-20 -132.09 149.21 52.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.2 m -121.68 139.72 53.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.414 ' SG ' ' HE3' ' A' ' 25' ' ' LYS . 5.1 p -160.74 166.12 29.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 108.271 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -129.35 29.22 5.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.474 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -102.37 148.37 25.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.373 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.488 ' OD1' ' CB ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -66.27 131.3 45.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.241 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.656 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 43.9 ttp85 55.45 28.69 12.0 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.537 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 1.7 p -71.43 -12.66 61.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 108.308 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.547 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -89.17 87.45 7.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.405 ' OXT' ' CG ' ' A' ' 61' ' ' ASN . 15.7 p-10 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.732 HD11 ' HA ' ' A' ' 21' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -91.55 119.62 31.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.676 ' SG ' HD22 ' A' ' 1' ' ' LEU . 70.8 m -125.95 169.92 12.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.316 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.641 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 56.0 m-70 -71.48 158.8 35.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.546 1.154 . . . . 0.0 109.598 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.562 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 1.4 p30 -128.28 -40.13 1.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.548 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 1.5 pt20 -40.17 152.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.458 ' HG2' ' N ' ' A' ' 8' ' ' SER . 39.1 tt0 -130.13 149.45 51.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.458 ' N ' ' HG2' ' A' ' 7' ' ' GLN . 1.7 m 67.05 -97.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.028 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.67 30.04 3.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.518 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -62.05 178.79 0.3 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.518 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -75.02 170.59 20.07 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.548 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 18.2 Cg_endo -75.01 94.61 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.562 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 1.1 p -124.8 144.53 50.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.379 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.509 HG21 ' O ' ' A' ' 3' ' ' CYS . 0.4 OUTLIER -127.36 175.03 8.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -166.24 146.47 6.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -91.89 129.25 37.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.347 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.6 m -92.74 160.13 15.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 108.262 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.8 m -111.63 145.64 38.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 110.049 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 43.88 28.21 1.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.555 1.16 . . . . 0.0 111.037 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.42 ' OE1' ' HA ' ' A' ' 20' ' ' GLU . 5.6 tp10 -140.91 131.41 25.36 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.503 0.766 . . . . 0.0 110.386 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.732 ' HA ' HD11 ' A' ' 1' ' ' LEU . 6.3 t -128.98 38.7 3.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.401 HD22 ' NH2' ' A' ' 55' ' ' ARG . 7.6 m-80 -148.04 149.36 31.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.447 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 6.9 m -152.29 149.01 28.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 108.322 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.68 ' CD2' HD12 ' A' ' 51' ' ' LEU . 18.0 p90 -140.89 158.88 43.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.71 ' HD3' ' H ' ' A' ' 61' ' ' ASN . 4.8 pttp -124.8 142.38 51.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.507 ' HB3' HD13 ' A' ' 51' ' ' LEU . 1.3 ptpt -131.78 143.7 50.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 22.1 p90 -149.34 158.58 44.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 108.022 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.72 ' CZ2' HG22 ' A' ' 35' ' ' ILE . 30.8 p90 -160.82 134.7 6.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 108.042 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 m -84.24 137.55 33.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.465 1.103 . . . . 0.0 109.95 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.419 ' OD2' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -101.75 -170.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -48.05 -62.83 1.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.547 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.529 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 5.1 ttt180 -133.39 54.46 1.95 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.419 ' HA3' ' OD2' ' A' ' 30' ' ' ASP . . . -177.95 -172.59 42.56 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.1 m -149.93 124.68 9.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 0.735 . . . . 0.0 110.384 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.72 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 94.6 mt -97.78 139.76 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.457 ' HB ' ' CA ' ' A' ' 8' ' ' SER . 5.7 mm -124.16 151.34 29.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -156.05 146.53 21.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.591 ' CZ ' ' HA ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -147.39 157.79 43.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.72 177.19 48.04 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.447 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.3 m -84.37 169.14 14.92 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.22 -169.05 37.54 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -161.77 79.66 2.03 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 177.29 8.8 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.501 1.79 . . . . 0.0 110.965 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.71 106.63 17.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.72 HG23 ' CB ' ' A' ' 51' ' ' LEU . 12.4 p -78.51 119.74 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.405 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.36 170.52 15.93 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 146.2 32.2 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.453 1.765 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.33 -31.84 7.31 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.564 1.165 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.8 t -112.05 151.15 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.781 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -96.52 140.22 31.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.72 ' CB ' HG23 ' A' ' 45' ' ' VAL . 8.5 tt -157.84 147.46 20.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.601 ' N ' HD21 ' A' ' 51' ' ' LEU . 46.7 t-20 -136.31 137.09 40.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.7 m -113.08 140.61 47.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 108.323 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -158.16 163.23 37.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 108.353 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.401 ' NH2' HD22 ' A' ' 22' ' ' ASN . 21.7 mtp85 -118.16 22.38 12.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.456 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -103.77 146.9 27.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.382 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.1 140.05 58.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.641 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 1.8 mtp-105 48.52 28.75 1.84 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.448 1.092 . . . . 0.0 110.268 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.456 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 13.0 p -81.39 -24.28 37.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 108.253 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 42.8 p-10 -94.76 84.71 4.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.71 ' H ' ' HD3' ' A' ' 25' ' ' LYS . 10.1 t-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.252 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.811 HD12 ' HA ' ' A' ' 21' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.58 ' HG3' HG23 ' A' ' 14' ' ' THR . 2.7 pt-20 -102.66 130.15 49.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.3 m -115.89 175.82 5.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 108.327 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.667 ' CD2' ' CG ' ' A' ' 58' ' ' ARG . 9.6 m-70 -66.93 169.19 8.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.561 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -131.12 -44.58 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.545 ' NE2' HH22 ' A' ' 38' ' ' ARG . 0.0 OUTLIER -40.82 151.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.505 ' OE1' ' CB ' ' A' ' 8' ' ' SER . 1.6 tm0? -124.9 145.25 49.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.226 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.505 ' CB ' ' OE1' ' A' ' 7' ' ' GLN . 1.8 m 64.73 -97.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.031 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.9 m -133.61 35.37 3.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.068 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.557 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -66.95 -178.67 0.36 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.557 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -75.05 173.47 14.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.8 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 109.45 2.93 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.785 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.6 p -142.16 136.67 30.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.399 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.58 HG23 ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -126.73 164.4 21.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.44 168.76 7.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.7 m -71.02 137.29 48.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -84.91 172.61 11.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.587 1.18 . . . . 0.0 108.293 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -73.14 -160.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.63 57.69 0.49 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.481 ' OE1' ' N ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -147.22 155.18 41.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 0.764 . . . . 0.0 110.29 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.811 ' HA ' HD12 ' A' ' 1' ' ' LEU . 2.5 t -117.92 28.66 8.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.441 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.582 ' ND2' HG21 ' A' ' 21' ' ' THR . 4.2 m-80 -152.15 158.46 42.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 90.5 m -146.1 155.54 42.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 108.269 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.541 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 27.5 p90 -138.1 160.9 38.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.749 ' HZ3' ' HB3' ' A' ' 52' ' ' ASN . 1.0 OUTLIER -116.31 156.37 26.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -151.83 128.4 10.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.515 ' CE2' ' HB3' ' A' ' 50' ' ' ASN . 13.9 p90 -148.44 162.02 40.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.4 ' CZ2' HD11 ' A' ' 35' ' ' ILE . 13.4 p90 -158.55 138.35 12.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 108.039 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 m -83.68 143.85 29.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 32' ' ' ARG . 2.3 p30 -113.25 -162.6 0.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -49.81 -62.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.642 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.45 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 31.8 mtt180 -139.59 53.06 1.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.429 ' CA ' ' OD2' ' A' ' 30' ' ' ASP . . . -170.62 -174.29 38.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.6 m -153.84 126.24 8.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 110.351 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' A' ' 27' ' ' TRP . 3.1 mt -100.39 137.52 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.401 ' HB ' ' O ' ' A' ' 8' ' ' SER . 19.4 mt -131.01 147.75 33.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.454 ' OE1' ' CG ' ' A' ' 7' ' ' GLN . 33.5 tp10 -157.98 149.23 21.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.73 ' NH2' ' HA ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -132.14 166.75 21.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.36 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.13 -179.07 47.31 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.5 m -90.05 175.73 7.06 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.427 ' HA2' ' CD ' ' A' ' 20' ' ' GLU . . . 76.07 -165.14 53.99 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 40.6 t -155.22 92.82 2.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.541 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -75.03 -179.24 4.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.446 1.761 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -83.22 133.69 35.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.522 HG11 HD21 ' A' ' 51' ' ' LEU . 32.7 m -79.13 113.54 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.085 . . . . 0.0 109.254 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.17 151.7 47.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.253 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 141.16 26.22 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.522 1.801 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.2 -32.59 5.82 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.576 1.172 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.2 t -102.09 142.49 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.515 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -85.34 133.75 34.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 109.284 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.522 HD21 HG11 ' A' ' 45' ' ' VAL . 3.6 tt -156.58 133.5 10.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.749 ' HB3' ' HZ3' ' A' ' 25' ' ' LYS . 12.4 t-20 -129.89 145.2 51.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.246 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.0 m -121.61 142.41 50.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 108.302 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.8 p -155.07 163.54 40.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 108.312 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.497 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 3.6 mtt85 -123.11 22.73 9.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.452 ' O ' ' SG ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -106.17 145.11 31.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 0.9 OUTLIER -60.93 139.71 57.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.336 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.667 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 40.9 ttp180 47.71 31.5 2.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 110.3 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 56' ' ' THR . 16.0 p -81.35 -22.67 38.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 108.334 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.517 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 39.9 p-10 -93.93 88.28 5.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.73 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 8.9 p-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.431 HD21 ' SG ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -94.9 118.97 32.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 14' ' ' THR . 56.4 m -128.77 169.6 14.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.308 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.619 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 92.9 m-70 -75.84 157.34 33.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.548 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.489 ' OD1' ' OG1' ' A' ' 13' ' ' THR . 1.3 p30 -119.89 -37.71 3.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.51 ' NE2' HH22 ' A' ' 38' ' ' ARG . 0.0 OUTLIER -36.57 149.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.091 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' A' ' 10' ' ' GLN . 34.9 tt0 -124.17 151.19 44.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.421 ' N ' ' HG2' ' A' ' 7' ' ' GLN . 1.7 m 62.32 -97.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.944 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 p -136.17 35.93 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.406 1.066 . . . . 0.0 110.021 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.556 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -66.71 -178.65 0.35 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.556 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.5 Cg_endo -74.98 170.42 20.45 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.537 1.809 . . . . 0.0 111.05 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.87 2.82 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.526 1.803 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.536 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 1.8 p -140.87 138.25 33.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.427 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -125.07 169.39 12.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 110.413 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.432 ' HZ1' ' C ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -167.46 149.83 5.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.432 ' C ' ' HZ1' ' A' ' 15' ' ' LYS . 19.0 m -87.32 132.12 34.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.398 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.408 ' SG ' ' NZ ' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -91.35 152.44 20.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 108.313 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.1 p -102.57 149.64 24.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.065 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 39.71 38.57 1.12 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.549 1.156 . . . . 0.0 111.033 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -157.3 135.97 11.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.413 ' C ' HD11 ' A' ' 1' ' ' LEU . 5.4 t -131.7 38.23 3.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.359 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -146.61 163.48 35.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.587 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 97.6 m -150.6 147.44 27.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 108.38 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.569 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 43.4 p90 -134.96 156.18 49.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.943 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.836 ' O ' HD21 ' A' ' 51' ' ' LEU . 7.8 mttm -109.5 148.91 30.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.446 ' HB3' HD22 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -147.72 127.97 13.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.428 1.08 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.573 ' CE2' ' CB ' ' A' ' 50' ' ' ASN . 22.8 p90 -151.32 159.84 44.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 107.989 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 9.4 p90 -160.28 143.24 13.49 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.0 p -80.18 137.58 36.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.945 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 32' ' ' ARG . 2.3 p30 -101.58 -161.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -49.73 -62.64 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.613 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.421 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 4.0 mtt180 -139.55 53.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.59 -175.14 40.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.602 1.189 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.565 HG23 HD12 ' A' ' 36' ' ' ILE . 4.2 m -136.62 123.56 21.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 0.8 . . . . 0.0 110.468 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.4 mt -95.52 133.26 37.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.565 HD12 HG23 ' A' ' 34' ' ' THR . 6.2 mm -119.38 147.75 22.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 38' ' ' ARG . 48.6 tp10 -161.49 156.55 23.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.51 HH22 ' NE2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -131.29 176.72 8.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.578 1.174 . . . . 0.0 110.239 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.521 ' HA3' ' CZ ' ' A' ' 24' ' ' TYR . . . -174.04 174.7 46.44 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.412 1.07 . . . . 0.0 111.05 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 69.0 m -104.6 148.27 26.71 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.86 -153.55 20.64 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 47.2 t -149.78 94.3 3.85 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.569 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 18.5 Cg_endo -74.95 178.64 6.97 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.23 137.35 33.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.701 HG13 HD11 ' A' ' 51' ' ' LEU . 17.0 m -78.99 113.4 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.09 153.26 37.86 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 146.78 33.35 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.485 1.782 . . . . 0.0 111.053 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.31 -10.16 64.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 66.3 t -129.67 139.16 52.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.486 0.757 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.573 ' CB ' ' CE2' ' A' ' 27' ' ' TRP . 57.6 m-80 -86.83 129.28 34.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.243 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.836 HD21 ' O ' ' A' ' 25' ' ' LYS . 2.9 tm? -137.52 133.77 34.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.412 ' N ' HD12 ' A' ' 51' ' ' LEU . 6.5 t-20 -132.47 149.12 52.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 55.0 m -125.1 142.42 51.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 108.29 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.9 p -154.63 164.41 38.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.598 1.186 . . . . 0.0 108.26 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -129.52 21.67 5.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.434 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -105.74 147.85 28.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 110.391 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.43 141.02 58.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.619 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 6.4 mtm180 49.85 25.95 1.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 56' ' ' THR . 19.9 p -71.46 -30.64 66.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 108.317 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.587 ' ND2' ' HB3' ' A' ' 23' ' ' CYS . 33.1 p30 -98.27 87.51 3.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.609 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . 36.7 t-20 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.488 HD11 ' CA ' ' A' ' 21' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.671 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 3.0 tt0 -97.4 120.2 37.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.352 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.578 ' O ' HG21 ' A' ' 14' ' ' THR . 94.1 m -121.32 160.81 23.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 108.284 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 22.9 m-70 -74.0 163.28 28.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.56 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' GLN . 1.3 m-20 -130.68 -43.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.542 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.2 OUTLIER -37.65 145.71 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.513 ' CG ' ' OE1' ' A' ' 37' ' ' GLU . 0.2 OUTLIER -125.38 153.38 43.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.481 ' O ' HD11 ' A' ' 36' ' ' ILE . 1.6 m 58.69 -95.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 110.035 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.98 44.83 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 109.94 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.538 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.0 mt-30 -77.82 177.53 2.69 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.542 ' O ' ' HB3' ' A' ' 6' ' ' GLN . 18.2 Cg_endo -74.97 173.56 14.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 0.0 111.043 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 92.95 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 p -124.71 138.6 54.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.578 HG21 ' O ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -127.87 172.77 10.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.377 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -157.68 158.79 36.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.358 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.8 m -98.67 128.17 44.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.341 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.3 m -100.01 149.31 23.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 108.308 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.07 155.45 41.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.55 -48.5 3.68 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.586 1.178 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.564 ' OE2' ' N ' ' A' ' 41' ' ' GLY . 0.0 OUTLIER -114.71 141.42 47.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.542 ' N ' ' HG2' ' A' ' 20' ' ' GLU . 67.0 p -117.66 51.01 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.399 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.455 ' ND2' ' C ' ' A' ' 21' ' ' THR . 3.3 m-80 -148.65 156.81 42.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.242 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 58.3 m -150.98 157.73 43.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 108.289 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.548 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 17.1 p90 -141.36 162.28 35.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.093 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -123.37 153.56 40.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 10.3 ptmt -150.52 136.16 18.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 18.3 p90 -150.14 162.36 40.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 108.027 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.0 p90 -160.08 134.77 7.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 107.99 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.6 p -89.53 143.8 26.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.597 1.185 . . . . 0.0 109.946 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 33' ' ' GLY . 1.1 p-10 -105.42 -170.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -47.53 -63.42 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.607 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.534 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 2.8 ttm180 -132.4 55.75 1.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -170.97 -177.06 40.61 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.2 m -154.13 118.44 4.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 0.0 110.364 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.1 mt -100.9 140.08 20.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.424 1.078 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.481 HD11 ' O ' ' A' ' 8' ' ' SER . 4.3 mp -123.54 150.29 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.513 ' OE1' ' CG ' ' A' ' 7' ' ' GLN . 7.0 tp10 -151.66 141.66 22.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.81 ' NH2' ' O ' ' A' ' 61' ' ' ASN . 1.8 mpt_? -147.72 153.84 39.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.24 -174.46 43.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.2 m -91.37 161.5 14.98 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.564 ' N ' ' OE2' ' A' ' 20' ' ' GLU . . . 101.33 -172.99 23.67 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.3 t -154.08 78.93 5.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.548 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -74.98 -179.71 5.25 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 111.045 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -83.72 137.71 33.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.591 HG21 ' HB3' ' A' ' 51' ' ' LEU . 13.9 p -78.36 113.06 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.18 160.55 65.28 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 149.31 36.24 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.47 1.773 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 71.08 4.08 54.45 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.7 t -130.18 138.94 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.786 . . . . 0.0 109.369 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.466 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -89.94 132.76 35.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.234 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.591 ' HB3' HG21 ' A' ' 45' ' ' VAL . 3.5 tt -151.82 137.65 18.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -138.54 138.12 37.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.3 m -107.28 145.19 33.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.428 1.08 . . . . 0.0 108.345 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -153.87 159.86 41.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 108.294 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -115.13 11.79 16.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.243 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.484 ' O ' ' SG ' ' A' ' 59' ' ' CYS . 1.4 p -98.93 143.51 29.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 110.404 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.671 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 11.9 m-20 -66.69 147.16 53.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.531 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 11.3 mtm180 51.6 19.95 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 110.36 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 56' ' ' THR . 16.6 p -71.02 -24.26 62.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 108.331 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.44 ' C ' ' HG2' ' A' ' 38' ' ' ARG . 23.9 p30 -98.33 78.49 2.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 1.034 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 4.4 t-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 21' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.589 ' HG3' HG22 ' A' ' 14' ' ' THR . 8.1 pt-20 -100.95 125.01 47.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.594 ' O ' HG23 ' A' ' 14' ' ' THR . 72.3 m -103.45 167.44 9.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 108.345 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.608 ' CD2' ' CG ' ' A' ' 58' ' ' ARG . 0.8 OUTLIER -69.13 167.34 16.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.61 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -130.11 -43.56 1.19 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.489 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 1.0 OUTLIER -48.78 147.97 2.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.259 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -125.35 156.72 38.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.402 ' O ' ' HB ' ' A' ' 36' ' ' ILE . 1.8 m 58.97 -97.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.917 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.63 42.09 2.85 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 110.065 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.556 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -75.29 177.6 2.26 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.556 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -74.99 174.5 12.67 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.499 1.789 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 107.08 2.4 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.554 1.818 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.8 p -142.1 138.98 32.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.409 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -132.92 172.07 13.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.65 155.78 7.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.353 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -64.18 136.09 56.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.409 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 3' ' ' CYS . 1.2 m -91.56 174.29 7.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 108.344 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 t -82.76 -149.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.592 1.182 . . . . 0.0 109.984 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.36 57.12 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' A' ' 22' ' ' ASN . 0.7 OUTLIER -136.77 158.23 44.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 0.803 . . . . 0.0 110.329 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.603 HG22 ' ND2' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -135.12 19.12 3.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.603 ' ND2' HG22 ' A' ' 21' ' ' THR . 1.7 m-80 -143.08 148.99 37.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.447 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 13.6 m -133.64 142.75 48.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 108.239 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.497 ' CZ ' ' HG3' ' A' ' 43' ' ' PRO . 7.0 p90 -132.65 160.63 36.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.599 ' HZ2' ' H ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -121.84 160.0 25.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.352 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -151.22 136.97 18.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.555 ' CE2' ' CB ' ' A' ' 50' ' ' ASN . 24.1 p90 -149.35 159.7 44.05 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.404 ' HB3' HG12 ' A' ' 49' ' ' VAL . 11.1 p90 -160.16 143.97 14.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 108.009 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.6 p -85.38 156.04 21.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.089 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.96 -166.13 1.35 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -62.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.585 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.96 51.08 2.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.404 1.065 . . . . 0.0 110.316 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.86 -171.07 35.81 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.562 1.164 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.7 m -153.23 120.01 5.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 0.777 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.5 mm -97.76 138.78 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.497 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.2 mp -129.27 150.0 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -151.82 152.77 33.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.759 ' NH2' ' O ' ' A' ' 61' ' ' ASN . 2.0 mpt_? -146.45 149.77 34.32 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.17 -175.55 41.05 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.6 OUTLIER -88.7 173.95 8.3 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.56 -169.09 35.35 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.9 t -158.79 86.24 2.33 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.715 ' HG2' HD12 ' A' ' 51' ' ' LEU . 18.3 Cg_endo -75.0 179.5 6.02 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.543 1.812 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -83.7 135.56 34.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.427 ' O ' HG12 ' A' ' 45' ' ' VAL . 8.2 p -79.14 112.03 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.409 1.068 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.81 154.48 42.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 140.99 26.14 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.536 1.809 . . . . 0.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.63 -11.83 69.49 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.541 1.151 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.404 HG12 ' HB3' ' A' ' 28' ' ' TRP . 97.0 t -128.07 146.31 33.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 0.792 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.555 ' CB ' ' CE2' ' A' ' 27' ' ' TRP . 1.2 m120 -90.91 134.1 34.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.715 HD12 ' HG2' ' A' ' 43' ' ' PRO . 5.9 tt -152.05 134.91 15.59 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.504 ' N ' HD21 ' A' ' 51' ' ' LEU . 13.1 t-20 -140.24 142.17 35.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 68.3 m -115.51 147.49 40.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 108.284 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -151.18 163.4 38.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 108.307 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.491 ' CZ ' ' OD1' ' A' ' 22' ' ' ASN . 9.1 mtp85 -117.71 19.99 13.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.436 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -105.71 144.19 32.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.358 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.74 140.64 58.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.219 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.608 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 3.6 ttp180 48.04 29.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.436 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 26.6 p -72.08 -24.87 61.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.347 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 10.5 p30 -92.72 83.97 4.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.759 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 8.7 p-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.555 HD22 ' SG ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.469 ' HG2' HG23 ' A' ' 14' ' ' THR . 4.8 tt0 -98.5 119.03 36.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.555 ' SG ' HD22 ' A' ' 1' ' ' LEU . 91.8 m -131.13 168.12 17.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 108.266 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.734 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 92.5 m-70 -70.67 162.53 28.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.602 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -130.06 -38.73 1.41 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.514 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 2.1 pt20 -41.68 154.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -138.21 156.31 47.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.542 ' O ' HD11 ' A' ' 36' ' ' ILE . 1.7 m 66.01 -93.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.3 p -141.12 35.92 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.491 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -72.73 177.24 1.96 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.491 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -75.01 170.75 19.72 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.524 1.802 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.514 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 18.2 Cg_endo -74.97 84.05 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.798 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 p -110.22 140.84 43.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.482 HG21 ' O ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -127.38 171.13 11.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.12 152.3 12.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.1 m -93.48 132.98 37.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.419 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.8 m -99.84 152.4 20.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.262 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.28 131.25 56.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.037 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.56 -50.09 4.17 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -80.01 123.58 27.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 110.235 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.459 ' C ' ' ND2' ' A' ' 22' ' ' ASN . 7.2 t -114.59 39.38 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.459 ' ND2' ' C ' ' A' ' 21' ' ' THR . 3.0 m-80 -148.37 157.08 43.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.49 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 1.6 m -146.58 152.63 39.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 108.277 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.612 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 40.1 p90 -140.38 160.32 40.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -130.74 136.11 48.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 6.4 ptpt -131.43 139.9 49.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 20.8 p90 -150.64 158.3 43.99 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.511 ' CH2' HG23 ' A' ' 35' ' ' ILE . 9.2 p90 -162.06 134.92 5.98 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -85.84 148.61 25.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 33' ' ' GLY . 2.6 p30 -117.52 -161.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -46.13 -69.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.588 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -133.69 57.2 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 30' ' ' ASP . . . -174.2 -178.41 44.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 m -147.54 120.39 8.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 0.0 110.422 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.511 HG23 ' CH2' ' A' ' 28' ' ' TRP . 3.1 mp -95.41 132.75 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.63 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.8 mp -130.38 145.92 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -158.23 138.04 12.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.63 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 1.2 mpt_? -130.44 167.95 17.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.43 -175.41 47.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.566 1.166 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 1.2 m -94.66 157.61 15.89 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.63 -159.9 19.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.0 t -160.37 94.49 1.56 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.612 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.5 Cg_endo -75.0 -179.21 4.77 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.472 1.775 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.11 135.43 34.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.8 p -78.85 112.88 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.56 151.42 37.44 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 135.16 18.71 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.13 -26.28 23.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.546 1.154 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 88.9 t -113.25 140.89 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.5 OUTLIER -88.76 134.12 34.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.8 tp -149.86 142.55 24.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -140.17 131.34 26.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 35.6 m -109.33 143.53 38.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 108.296 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -156.43 163.84 38.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 108.306 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -118.94 21.81 12.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.242 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.453 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -101.16 148.18 25.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.388 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.1 137.8 58.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.554 ' CD ' ' CE1' ' A' ' 4' ' ' HIS . 6.5 mtm180 47.88 30.09 1.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.453 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 14.5 p -76.06 -19.03 58.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 108.331 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.452 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 39.1 p-10 -97.98 79.67 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.734 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . 13.9 t30 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.472 HD12 ' OG1' ' A' ' 21' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -104.14 127.13 51.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.9 m -129.07 173.02 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 108.28 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.627 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 93.2 m-70 -79.01 160.24 27.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.403 1.065 . . . . 0.0 109.54 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.509 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -123.54 -33.14 3.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.549 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.6 OUTLIER -37.41 145.63 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.422 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -119.89 147.15 45.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.317 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m 62.95 -97.1 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 m -132.42 35.62 3.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.943 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.595 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 1.9 mt-30 -65.42 179.94 0.39 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.245 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.595 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.1 Cg_endo -75.03 170.82 19.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.535 1.808 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 83.81 1.77 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.467 1.772 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.509 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 3.1 p -112.15 139.04 48.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 110.369 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -123.91 171.33 9.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.358 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.79 158.07 12.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 m -94.43 132.86 38.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.329 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.3 m -90.31 156.03 18.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 108.286 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 19' ' ' GLY . 8.0 m -95.81 130.16 42.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 18' ' ' SER . . . 37.15 49.56 1.57 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 21' ' ' THR . 5.4 tp10 -149.92 128.23 12.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.472 ' OG1' HD12 ' A' ' 1' ' ' LEU . 5.0 t -123.42 31.94 5.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.433 1.083 . . . . 0.0 110.385 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -141.95 153.49 44.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 99.9 m -149.6 156.55 42.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.173 . . . . 0.0 108.326 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.577 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 29.2 p90 -140.93 160.03 40.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.742 ' HZ3' ' H ' ' A' ' 61' ' ' ASN . 2.7 mtpp -116.91 138.46 51.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.577 1.173 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.403 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 10.9 ptmt -135.76 129.46 32.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.525 ' CE2' ' HB3' ' A' ' 50' ' ' ASN . 25.8 p90 -151.0 161.77 42.1 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 12.9 p90 -159.88 136.68 9.22 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -81.6 145.38 30.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.43 ' OD2' ' CA ' ' A' ' 33' ' ' GLY . 2.8 p30 -109.67 -163.18 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -49.37 -64.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.6 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.2 52.35 1.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 110.364 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.43 ' CA ' ' OD2' ' A' ' 30' ' ' ASP . . . -166.66 -171.77 33.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.538 1.149 . . . . 0.0 111.048 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 m -150.89 120.32 6.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.471 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.8 mt -97.51 134.91 33.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.403 ' N ' HD11 ' A' ' 36' ' ' ILE . 3.9 mp -126.35 150.79 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 38' ' ' ARG . 4.9 tp10 -160.05 132.3 6.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.327 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 1.175 ' NH2' ' O ' ' A' ' 61' ' ' ASN . 1.7 mpt_? -123.51 153.46 40.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.62 -177.33 40.05 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.546 1.153 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -91.9 160.26 15.37 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.87 -172.02 23.23 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.439 1.087 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 47.0 t -152.35 88.97 3.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.577 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.5 Cg_endo -74.96 177.17 8.93 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.473 1.775 . . . . 0.0 111.098 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.461 ' C ' HD21 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -83.65 138.94 33.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.749 ' HA ' HD21 ' A' ' 51' ' ' LEU . 11.7 p -78.52 114.21 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.81 152.93 38.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.4 1.063 . . . . 0.0 109.348 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 135.03 18.69 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.4 -24.85 30.57 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.11 . . . . 0.0 111.006 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 90.7 t -114.93 142.99 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.525 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 64.4 m-80 -88.57 130.08 35.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.749 HD21 ' HA ' ' A' ' 45' ' ' VAL . 17.3 tp -145.3 131.8 19.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -133.28 148.35 51.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 63.0 m -121.25 147.78 45.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 108.342 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.4 p -156.59 164.98 37.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 108.328 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -129.5 23.27 5.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.44 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -106.68 148.08 28.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.467 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -61.73 138.43 58.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 109.387 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.627 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 11.6 mtm180 49.18 29.07 2.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 110.257 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.473 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 23.2 p -70.51 -30.46 67.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 108.303 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.502 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 35.2 p30 -97.25 79.72 2.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 1.175 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 52.8 t-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.805 HD11 ' HA ' ' A' ' 21' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.602 ' HG3' HG22 ' A' ' 14' ' ' THR . 2.8 pt-20 -104.76 124.84 50.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.174 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 63.5 m -114.93 162.72 16.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 108.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.56 ' NE2' ' CD ' ' A' ' 58' ' ' ARG . 30.7 m-70 -78.12 157.85 29.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.609 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.535 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 0.5 OUTLIER -120.37 -40.91 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.419 ' OE1' ' O ' ' A' ' 11' ' ' PRO . 0.4 OUTLIER -46.79 151.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.408 ' CB ' ' OE1' ' A' ' 37' ' ' GLU . 7.1 pm0 -139.5 160.54 39.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 m 65.47 -94.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 109.965 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.28 31.33 1.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.455 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -67.98 175.59 1.69 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 110.326 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -74.94 172.74 15.76 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.467 1.772 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 109.74 2.99 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.496 1.787 . . . . 0.0 111.043 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.535 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 1.7 p -140.56 140.9 35.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.429 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.602 HG22 ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -140.65 169.05 18.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.478 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -167.48 157.81 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.9 m -77.22 130.69 37.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.7 m -89.94 169.21 11.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 108.324 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 20' ' ' GLU . 12.8 m -68.25 -149.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.043 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.27 57.05 0.18 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.12 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.467 ' OE1' ' N ' ' A' ' 22' ' ' ASN . 0.9 OUTLIER -127.5 141.78 51.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 0.765 . . . . 0.0 110.307 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.805 ' HA ' HD11 ' A' ' 1' ' ' LEU . 50.4 p -127.23 31.17 5.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.492 ' ND2' ' C ' ' A' ' 21' ' ' THR . 2.5 m-80 -149.54 154.06 38.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.52 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 31.3 m -145.19 141.69 28.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.328 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.559 ' CE2' HD12 ' A' ' 51' ' ' LEU . 15.2 p90 -134.17 159.88 39.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -124.33 153.75 41.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -144.03 145.07 31.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.552 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 19.0 p90 -150.1 159.66 44.24 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.876 ' CZ2' HG22 ' A' ' 35' ' ' ILE . 14.8 p90 -160.28 134.28 7.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 108.013 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.0 p -86.19 149.11 25.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -161.94 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -50.3 -62.84 1.35 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 109.594 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -138.02 53.07 1.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.44 -172.37 34.5 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.565 1.166 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.3 m -149.06 123.56 9.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 110.412 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.876 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 40.3 mm -99.53 140.54 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.542 HD11 ' HB2' ' A' ' 27' ' ' TRP . 4.4 mm -127.4 149.87 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' OE1' ' CB ' ' A' ' 7' ' ' GLN . 41.6 tp10 -159.31 139.34 11.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 110.248 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 1.052 ' NH2' ' O ' ' A' ' 61' ' ' ASN . 2.1 mpt_? -130.52 157.78 41.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -170.05 -179.96 41.96 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.443 1.09 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 1.174 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 54.8 m -96.92 172.97 7.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.81 -157.19 33.8 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 54.0 t -160.34 85.29 1.98 Allowed Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.536 ' HD3' ' CE1' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -75.01 177.73 8.2 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.525 1.803 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.1 123.12 29.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.6 p -79.47 112.57 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -84.15 162.65 51.08 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.399 1.062 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 134.86 18.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.428 1.751 . . . . 0.0 111.043 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.15 -31.59 8.19 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 69.9 t -106.79 140.83 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.565 0.803 . . . . 0.0 109.309 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.552 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 31.7 m-80 -90.22 135.96 33.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.221 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.559 HD12 ' CE2' ' A' ' 24' ' ' TYR . 6.5 tt -156.35 138.69 14.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.441 ' N ' HD22 ' A' ' 51' ' ' LEU . 6.7 t-20 -135.89 137.41 41.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.2 m -104.4 143.65 32.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.3 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -149.27 164.08 35.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 108.3 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.449 ' NE ' ' OD1' ' A' ' 22' ' ' ASN . 53.7 mtp180 -122.65 22.87 9.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.472 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -107.48 146.62 31.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.399 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.38 139.83 58.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.56 ' CD ' ' NE2' ' A' ' 4' ' ' HIS . 4.5 mtm180 49.87 28.92 3.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.606 1.191 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 56' ' ' THR . 20.9 p -68.6 -30.6 69.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.454 1.096 . . . . 0.0 108.271 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.514 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 15.8 p30 -94.99 84.69 4.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 1.052 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 9.8 p-10 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.513 ' CD2' ' SG ' ' A' ' 23' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 3.1 tt0 -101.46 118.37 36.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.838 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 72.1 m -111.39 156.08 22.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.291 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.789 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 2.9 m-70 -66.2 165.14 14.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.602 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -127.03 -41.9 1.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.241 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.505 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -48.4 150.97 1.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.268 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.447 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 14.2 tm0? -128.36 152.99 47.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m 60.43 -96.93 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -133.86 40.75 3.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.569 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -73.61 178.74 1.42 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.404 1.065 . . . . 0.0 110.255 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.569 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.0 Cg_endo -75.07 174.03 13.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.458 1.767 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 106.65 2.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.2 p -138.73 138.78 37.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.524 ' HG1' ' CZ ' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -132.62 168.05 18.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.376 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -164.32 158.99 19.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 m -93.54 128.3 39.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.377 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -88.37 160.79 17.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 108.322 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 19' ' ' GLY . 61.8 p -103.09 147.75 26.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 18' ' ' SER . . . 34.85 49.96 0.77 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.462 ' OE2' ' N ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -160.63 143.16 12.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 0.78 . . . . 0.0 110.275 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.465 ' C ' ' ND2' ' A' ' 22' ' ' ASN . 2.0 t -140.56 44.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.43 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.465 ' ND2' ' C ' ' A' ' 21' ' ' THR . 4.0 m-80 -150.52 151.42 32.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.513 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 4.0 m -142.48 143.59 32.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 108.382 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.545 ' CZ ' ' HG3' ' A' ' 43' ' ' PRO . 19.0 p90 -133.56 160.02 38.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.06 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' NZ ' ' O ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -125.6 146.78 49.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -141.44 138.22 32.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.375 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 22.6 p90 -150.68 159.65 44.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 107.956 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.78 ' CH2' HG23 ' A' ' 35' ' ' ILE . 9.6 p90 -160.55 129.56 4.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 107.971 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -81.17 140.69 34.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.985 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.436 ' OD2' ' C ' ' A' ' 33' ' ' GLY . 4.1 p30 -105.93 -164.9 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -47.69 -61.03 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 109.593 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -140.15 55.14 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.235 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.436 ' C ' ' OD2' ' A' ' 30' ' ' ASP . . . -169.03 -173.26 36.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.125 . . . . 0.0 111.059 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.7 m -149.85 123.36 9.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 0.798 . . . . 0.0 110.281 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.78 HG23 ' CH2' ' A' ' 28' ' ' TRP . 4.6 mp -100.25 139.4 21.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.553 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.5 mp -131.94 150.84 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.43 ' HG2' ' CG ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -160.56 132.22 5.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.553 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 1.9 mpt_? -126.3 155.02 42.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.28 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.26 -175.62 39.83 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.441 1.088 . . . . 0.0 111.061 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.838 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 82.2 m -92.0 172.36 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.462 ' N ' ' OE2' ' A' ' 20' ' ' GLU . . . 83.03 -162.8 41.01 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 49.7 t -153.26 96.12 2.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.545 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -75.03 175.7 10.9 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.447 1.762 . . . . 0.0 110.978 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -84.56 135.13 34.34 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.686 ' HA ' HD22 ' A' ' 51' ' ' LEU . 34.9 m -79.26 112.57 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -97.53 157.11 35.33 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 143.45 28.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.552 1.817 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.32 -28.73 7.81 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.57 1.169 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 97.0 t -109.32 140.96 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.322 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -88.37 130.33 35.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.686 HD22 ' HA ' ' A' ' 45' ' ' VAL . 42.3 tp -146.45 135.39 22.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -139.79 141.15 36.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.1 m -115.29 147.1 40.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 108.283 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -153.01 160.55 43.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 108.299 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -117.73 20.48 13.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.467 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -101.11 145.46 28.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.417 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -62.63 136.81 58.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.653 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 2.3 ttt180 48.98 30.45 2.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.467 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 20.0 p -70.26 -26.48 63.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 108.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.505 ' HB2' ' CG ' ' A' ' 38' ' ' ARG . 27.2 p30 -94.14 84.4 4.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.837 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 15.8 t30 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.637 HD12 ' HB ' ' A' ' 21' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.692 ' HG3' HG23 ' A' ' 14' ' ' THR . 11.0 pt-20 -107.55 123.43 48.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.123 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 83.2 m -105.65 165.02 11.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 108.221 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.643 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 2.0 m-70 -68.29 167.08 15.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.569 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -131.08 -42.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.323 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.535 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -48.32 150.27 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.15 150.42 49.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' ILE . 1.6 m 64.17 -96.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.018 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.27 37.67 2.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.031 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.564 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -71.15 178.67 1.12 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.564 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -75.02 174.32 12.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 107.44 2.48 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.409 1.742 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 p -140.49 141.1 35.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.692 HG23 ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -134.39 173.28 11.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.383 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' HZ2' ' HA ' ' A' ' 17' ' ' CYS . 0.4 OUTLIER -167.29 145.64 4.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.2 m -71.34 131.18 43.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.452 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.44 ' HA ' ' HZ2' ' A' ' 15' ' ' LYS . 41.9 m -92.95 157.16 16.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 108.269 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.422 ' C ' ' N ' ' A' ' 20' ' ' GLU . 68.5 p -69.96 -149.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -46.16 -19.97 0.46 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' A' ' 22' ' ' ASN . 2.1 tm-20 -76.41 118.73 19.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 0.736 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.637 ' HB ' HD12 ' A' ' 1' ' ' LEU . 53.6 p -115.3 47.19 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 110.425 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.461 ' N ' ' OE1' ' A' ' 20' ' ' GLU . 1.9 m-80 -144.61 152.52 40.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 1.4 m -140.1 143.67 36.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 108.287 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.526 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 4.1 p90 -137.13 158.01 45.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.413 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -121.56 156.49 32.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.924 ' HB3' HD13 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -148.79 139.35 22.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 21.5 p90 -150.42 158.36 44.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 107.994 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.626 ' CH2' HG23 ' A' ' 35' ' ' ILE . 13.3 p90 -161.28 132.33 5.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 107.988 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -81.3 138.31 35.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.537 ' OD2' ' CA ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -108.63 -168.58 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.95 -64.67 0.66 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.106 . . . . 0.0 109.636 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.527 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 4.7 ttm180 -136.98 59.57 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.537 ' CA ' ' OD2' ' A' ' 30' ' ' ASP . . . 179.73 -177.86 48.34 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.7 m -145.66 123.24 11.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 110.458 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.626 HG23 ' CH2' ' A' ' 28' ' ' TRP . 49.6 mm -97.11 138.92 20.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.523 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.2 mp -131.25 150.64 34.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.098 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.421 ' HA ' ' OE1' ' A' ' 37' ' ' GLU . 3.1 tp10 -157.07 148.79 22.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.523 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 2.0 mpt_? -141.1 153.4 45.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.31 -172.91 36.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.571 1.169 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 1.123 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.8 OUTLIER -98.71 168.15 10.33 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.31 -160.48 28.17 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.467 1.104 . . . . 0.0 110.989 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.8 t -161.28 87.02 1.66 Allowed Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.513 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -74.93 -179.57 5.09 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.8 . . . . 0.0 111.046 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.25 136.41 34.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.387 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.723 HG11 HD22 ' A' ' 51' ' ' LEU . 25.6 m -78.62 114.95 19.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -92.39 156.52 41.49 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 138.8 23.44 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.584 1.834 . . . . 0.0 111.046 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.59 -29.42 9.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.1 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.7 t -107.32 137.51 38.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -90.92 135.07 33.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.924 HD13 ' HB3' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -150.45 139.54 21.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -135.19 136.19 41.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.3 m -107.93 143.39 36.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 108.228 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -153.02 161.98 41.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 108.331 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -120.62 22.79 11.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.46 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -103.31 148.12 26.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 110.397 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.03 137.28 58.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.643 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 6.5 mtm180 47.29 30.56 1.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.46 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 18.2 p -69.52 -26.43 64.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 108.331 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.479 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 26.3 p-10 -95.49 82.64 3.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.783 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 11.1 p30 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.466 HD22 ' SG ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 4.8 tt0 -95.45 122.75 38.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.466 ' SG ' HD22 ' A' ' 1' ' ' LEU . 93.5 m -129.51 167.72 17.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 108.261 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.651 ' CE1' ' CD ' ' A' ' 58' ' ' ARG . 89.5 m-70 -71.71 157.87 37.16 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.548 1.155 . . . . 0.0 109.647 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.526 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 0.6 OUTLIER -123.63 -37.62 2.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.497 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 1.1 pt20 -37.52 146.45 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 36' ' ' ILE . 2.0 tt0 -124.97 151.56 45.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.417 ' CA ' ' HB ' ' A' ' 36' ' ' ILE . 1.5 m 64.88 -95.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.4 m -135.7 33.18 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.985 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.524 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -64.83 177.52 0.59 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 110.296 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.524 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -74.99 171.97 17.28 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.448 1.762 . . . . 0.0 110.943 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 86.53 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.397 1.735 . . . . 0.0 111.035 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.526 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 1.6 p -115.48 141.5 47.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 m -129.68 169.62 14.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.408 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -166.86 161.89 15.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.4 m -84.35 143.93 29.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.426 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 19.3 m -97.53 -179.97 4.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 108.307 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.412 ' C ' ' N ' ' A' ' 20' ' ' GLU . 3.4 m -96.69 -149.62 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 110.011 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -49.24 -18.88 1.48 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 22' ' ' ASN . 2.0 tm-20 -77.48 123.7 26.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.751 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 t -111.29 38.81 2.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.356 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.468 ' N ' ' OE1' ' A' ' 20' ' ' GLU . 3.3 m-80 -143.56 154.6 43.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.407 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 1.8 m -149.53 146.33 27.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 108.314 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.548 ' CD2' HD22 ' A' ' 51' ' ' LEU . 24.1 p90 -135.68 160.36 38.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.484 ' NZ ' HD21 ' A' ' 52' ' ' ASN . 0.6 OUTLIER -126.68 137.52 53.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -131.39 142.49 50.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.528 ' HB2' HD11 ' A' ' 36' ' ' ILE . 16.4 p90 -150.14 159.74 44.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 107.981 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.735 ' CH2' HG23 ' A' ' 35' ' ' ILE . 11.7 p90 -160.43 133.95 6.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.2 p -86.09 142.28 28.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.008 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.53 -163.97 0.94 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -52.22 -64.36 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.573 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -133.85 51.9 2.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.14 -171.47 34.89 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.491 HG21 HD12 ' A' ' 36' ' ' ILE . 7.5 m -155.46 121.76 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 110.43 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.735 HG23 ' CH2' ' A' ' 28' ' ' TRP . 46.9 mm -96.62 141.47 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.586 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 4.0 mm -128.82 153.24 38.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -159.51 143.5 14.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.285 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.664 ' NE ' ' O ' ' A' ' 61' ' ' ASN . 1.6 mpt_? -148.75 156.82 42.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.584 1.178 . . . . 0.0 110.296 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.59 -177.67 48.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.75 -178.92 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.404 ' HA2' ' CD ' ' A' ' 20' ' ' GLU . . . 77.39 -171.71 55.15 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -160.59 86.07 1.87 Allowed Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -178.13 3.96 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.792 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.14 135.16 35.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.504 HG21 ' O ' ' A' ' 45' ' ' VAL . 10.6 m -79.03 113.51 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.34 154.28 48.85 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 137.33 21.49 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.92 -28.82 12.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.577 1.173 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 38.8 t -114.4 146.4 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.417 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 9.0 m-20 -92.81 135.97 33.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.548 HD22 ' CD2' ' A' ' 24' ' ' TYR . 1.3 tt -148.29 146.62 28.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.484 HD21 ' NZ ' ' A' ' 25' ' ' LYS . 11.9 t-20 -141.74 133.24 26.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.241 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.54 142.97 43.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 0.0 108.346 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -158.79 161.58 36.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 108.324 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -117.8 23.22 11.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.434 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -101.8 147.47 26.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.428 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.25 139.02 58.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.651 ' CD ' ' CE1' ' A' ' 4' ' ' HIS . 10.8 mtm180 48.59 29.31 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.434 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 13.8 p -78.55 -25.42 45.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 108.263 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.431 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 46.4 p-10 -96.51 80.53 3.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.399 1.062 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 1.018 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 33.1 t-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.481 ' CD2' ' SG ' ' A' ' 23' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.726 ' HG3' HG23 ' A' ' 14' ' ' THR . 5.0 pt-20 -104.81 121.63 44.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.522 ' O ' HG21 ' A' ' 14' ' ' THR . 84.6 m -107.05 156.96 18.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 108.247 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.73 ' CD2' ' HB3' ' A' ' 61' ' ' ASN . 1.2 m-70 -69.17 162.28 27.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.559 1.162 . . . . 0.0 109.571 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -129.64 -43.93 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 11' ' ' PRO . 0.5 OUTLIER -49.96 152.71 1.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -140.57 159.59 41.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.069 . . . . 0.0 110.309 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.515 ' O ' HD11 ' A' ' 36' ' ' ILE . 2.9 m 64.31 -93.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.599 1.187 . . . . 0.0 109.969 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.4 p -141.08 38.14 1.76 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.445 1.091 . . . . 0.0 109.99 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.442 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -75.98 174.81 4.98 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -75.01 173.56 14.3 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.433 1.754 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 105.73 2.14 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.0 p -138.3 138.16 38.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.591 1.182 . . . . 0.0 110.416 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.726 HG23 ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -135.16 166.97 21.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 110.444 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 8.0 tttt -155.71 158.74 38.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.235 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 m -85.63 131.85 34.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.445 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.0 m -96.77 151.52 19.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.339 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.3 p -117.98 138.19 52.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.981 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.28 -48.74 3.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.49 ' OE1' ' O ' ' A' ' 22' ' ' ASN . 1.0 OUTLIER -85.26 154.2 22.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.528 0.781 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.495 ' C ' ' ND2' ' A' ' 22' ' ' ASN . 10.5 t -140.04 39.67 1.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.429 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.495 ' ND2' ' C ' ' A' ' 21' ' ' THR . 2.5 m-80 -149.69 151.09 33.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.487 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 3.7 m -135.36 143.06 45.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 108.298 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.545 ' CE2' ' HD3' ' A' ' 43' ' ' PRO . 14.0 p90 -138.99 157.53 45.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.402 1.064 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -122.93 149.79 43.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -143.33 139.69 30.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 15.6 p90 -150.12 158.1 43.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.46 ' CZ2' HG23 ' A' ' 35' ' ' ILE . 11.3 p90 -161.52 132.65 5.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.032 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -87.81 134.71 33.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.943 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 33' ' ' GLY . 0.6 OUTLIER -100.17 -166.62 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.594 1.184 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.412 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 2.2 m170 -45.86 -66.78 0.35 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.554 1.159 . . . . 0.0 109.513 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.545 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -133.04 56.04 1.87 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.547 1.154 . . . . 0.0 110.274 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.534 ' N ' ' OD1' ' A' ' 30' ' ' ASP . . . -172.39 -172.88 38.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 m -154.82 119.32 4.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 0.734 . . . . 0.0 110.427 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.46 HG23 ' CZ2' ' A' ' 28' ' ' TRP . 30.6 mm -99.85 136.63 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.656 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.7 mp -130.65 150.67 34.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.45 1.094 . . . . 0.0 109.385 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.48 143.09 17.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.656 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 2.1 mpt_? -138.15 158.25 44.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.157 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.65 -175.48 47.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.434 1.084 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 18.7 m -88.61 167.63 13.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.4 ' HA2' ' OE2' ' A' ' 20' ' ' GLU . . . 95.73 -162.8 23.35 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.2 t -161.16 90.38 1.56 Allowed Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.545 ' HD3' ' CE2' ' A' ' 24' ' ' TYR . 18.5 Cg_endo -74.93 176.55 9.74 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.603 1.843 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.93 133.31 34.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.524 ' CA ' HD22 ' A' ' 51' ' ' LEU . 6.5 p -79.3 108.55 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.7 158.87 50.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 126.96 10.34 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.49 1.784 . . . . 0.0 111.061 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.64 -33.01 6.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 64.2 t -102.72 136.86 33.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 0.773 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -89.02 132.81 34.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.524 HD22 ' CA ' ' A' ' 45' ' ' VAL . 4.9 tp -150.32 138.69 20.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -139.62 137.12 35.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 86.4 m -110.88 144.4 39.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 108.32 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.81 161.69 42.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 108.286 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -114.08 21.07 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.361 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.475 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -100.01 146.34 26.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.172 . . . . 0.0 110.376 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' OD2' ' HG2' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -62.58 135.48 57.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.644 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 3.2 ttm180 48.68 30.87 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.475 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 15.1 p -72.05 -22.02 61.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 108.323 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.487 ' ND2' ' HB3' ' A' ' 23' ' ' CYS . 8.8 p30 -91.69 85.98 5.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.73 ' HB3' ' CD2' ' A' ' 4' ' ' HIS . 19.3 p-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.48 HD12 ' CA ' ' A' ' 21' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.599 ' HG2' HG23 ' A' ' 14' ' ' THR . 7.6 tt0 -105.9 112.7 25.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.173 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 86.3 m -106.78 152.52 23.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 108.269 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.595 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 12.6 m-70 -68.47 157.61 35.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.625 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.521 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 1.8 p30 -123.92 -37.77 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.535 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -33.75 144.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.314 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.456 ' HG2' ' N ' ' A' ' 8' ' ' SER . 1.2 tm0? -122.95 144.76 49.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.354 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 36' ' ' ILE . 1.6 m 64.52 -95.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 110.044 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.5 p -134.6 33.18 3.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.985 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.529 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -62.98 179.13 0.32 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.1 Cg_endo -74.97 174.35 12.93 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.483 1.781 . . . . 0.0 111.058 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.535 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 18.2 Cg_endo -75.05 85.04 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.521 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 1.9 p -114.43 141.2 47.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.447 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.616 ' HG1' ' HD2' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -131.55 168.26 17.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.25 145.07 9.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.7 m -77.4 128.45 34.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.449 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.5 m -90.63 167.9 12.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 0.0 108.202 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 p -129.38 137.83 51.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.027 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.65 -50.09 2.11 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' OE1' ' ND2' ' A' ' 22' ' ' ASN . 6.8 tp10 -87.12 139.34 30.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 0.79 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.48 ' CA ' HD12 ' A' ' 1' ' ' LEU . 65.5 p -127.43 42.96 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.378 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.462 ' ND2' ' C ' ' A' ' 21' ' ' THR . 2.2 m-80 -146.21 160.36 42.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.216 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.494 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 1.1 m -140.15 143.09 35.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 108.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.562 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 30.4 p90 -138.06 159.38 42.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.546 ' CD ' ' HA ' ' A' ' 60' ' ' ASN . 2.5 mttp -114.63 146.44 40.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -143.26 128.14 18.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.51 ' CE2' ' HB3' ' A' ' 50' ' ' ASN . 17.6 p90 -150.76 162.01 41.55 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.42 ' HB3' HG11 ' A' ' 49' ' ' VAL . 19.1 p90 -157.37 131.25 8.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 107.992 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.5 p -81.9 134.24 35.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.983 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.443 ' OD2' ' HA3' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -101.3 -169.6 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 109.194 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -46.31 -62.86 1.17 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.388 1.055 . . . . 0.0 109.568 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.544 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -135.62 54.3 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.443 ' HA3' ' OD2' ' A' ' 30' ' ' ASP . . . -171.22 -179.13 42.16 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.597 1.185 . . . . 0.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.8 m -150.24 121.71 7.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 0.725 . . . . 0.0 110.42 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.8 mt -99.87 132.62 45.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.347 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.585 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 1.8 mp -125.84 152.31 32.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -160.85 154.56 22.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.585 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 1.9 mpt_? -140.61 154.95 46.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.39 -175.65 38.74 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 1.173 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.3 m -97.49 156.49 16.47 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.15 -159.78 19.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.6 t -158.91 96.75 1.72 Allowed Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.563 ' HG2' HD12 ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.98 179.58 5.95 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.46 1.769 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.72 131.85 34.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.245 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 45' ' ' VAL . 30.5 m -79.5 112.56 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.408 ' HG3' ' HD2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -99.43 152.58 37.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.408 ' HD2' ' HG3' ' A' ' 46' ' ' LYS . 18.2 Cg_endo -75.06 131.35 14.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.566 1.824 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.32 -35.01 5.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.42 HG11 ' HB3' ' A' ' 28' ' ' TRP . 96.4 t -104.67 144.02 15.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.51 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 74.9 m-20 -89.81 136.4 33.06 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.563 HD12 ' HG2' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -155.52 141.71 18.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.406 ' O ' ' HB2' ' A' ' 24' ' ' TYR . 18.5 t-20 -137.67 141.63 41.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 54.2 m -116.67 144.95 43.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 108.318 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -153.44 161.14 42.57 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 0.0 108.279 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.4 ' HG2' ' OD1' ' A' ' 22' ' ' ASN . 4.3 mtt180 -118.57 19.76 13.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.455 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -103.87 146.06 29.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.407 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -63.62 141.52 58.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.616 ' HD2' ' HG1' ' A' ' 14' ' ' THR . 33.8 mtp180 48.45 24.27 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.23 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.455 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 19.7 p -69.47 -24.97 63.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.608 1.193 . . . . 0.0 108.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.546 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 18.3 p-10 -94.05 81.73 4.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 1.131 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 3.6 t-20 . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.51 ' CD2' ' SG ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -98.4 112.13 24.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.647 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 75.3 m -110.84 162.74 14.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 108.277 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.558 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 0.8 OUTLIER -68.63 164.44 21.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.628 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -127.34 -45.54 1.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.567 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.7 OUTLIER -38.76 145.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 110.191 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.19 153.12 36.72 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m 58.14 -96.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 110.012 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 p -133.5 43.09 2.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.005 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.562 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 1.0 OUTLIER -74.78 178.37 1.78 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.567 ' O ' ' HB3' ' A' ' 6' ' ' GLN . 18.5 Cg_endo -74.91 174.5 12.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.544 1.812 . . . . 0.0 111.039 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 105.01 2.0 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.559 1.82 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.454 ' O ' ' ND1' ' A' ' 4' ' ' HIS . 2.0 p -140.02 141.77 36.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.561 ' HG1' ' CZ ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -130.56 173.97 10.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.423 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.62 147.2 6.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 m -84.07 127.96 34.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.403 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.7 m -91.52 158.25 16.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 108.269 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.8 p -108.81 153.41 23.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.939 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 39.75 29.94 0.19 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -152.0 127.83 10.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.2 t -127.24 47.77 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.384 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -143.11 160.86 39.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.51 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 79.5 m -134.7 139.47 45.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 108.314 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.56 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 2.2 p90 -139.12 160.02 40.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.528 ' CE ' ' O ' ' A' ' 59' ' ' CYS . 1.0 OUTLIER -134.08 141.7 47.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.495 ' HB3' HD22 ' A' ' 51' ' ' LEU . 3.6 ptmt -142.62 128.71 19.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.1 p90 -146.83 162.4 38.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 108.037 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 7.6 p90 -159.37 133.35 7.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -84.37 144.21 28.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.962 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 33' ' ' GLY . 2.1 p30 -109.85 -167.77 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -44.93 -67.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.644 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.524 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -133.23 56.5 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.497 ' N ' ' OD1' ' A' ' 30' ' ' ASP . . . -170.04 -174.06 37.93 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.2 m -156.4 118.94 4.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 0.772 . . . . 0.0 110.399 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.3 mm -101.02 132.3 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.248 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.7 mp -119.34 150.79 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.262 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.427 ' HA ' ' OE1' ' A' ' 37' ' ' GLU . 5.7 tp10 -149.42 153.77 37.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 1.029 ' NH2' ' HA ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -144.39 164.0 32.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 179.39 -171.36 43.17 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.461 1.1 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.647 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 43.1 m -107.97 155.18 20.62 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.58 -160.73 18.92 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.456 1.097 . . . . 0.0 111.037 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.8 t -150.24 92.12 4.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 177.87 8.03 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.496 1.787 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -84.07 132.96 34.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.145 . . . . 0.0 109.246 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.598 ' HB ' HD13 ' A' ' 51' ' ' LEU . 2.7 p -79.39 113.37 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.95 153.39 39.9 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 136.78 20.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.451 1.763 . . . . 0.0 111.047 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.67 -21.96 43.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.556 1.16 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 86.6 t -116.66 142.29 31.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.437 0.728 . . . . 0.0 109.299 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.48 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -86.39 132.35 33.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.635 HD21 ' N ' ' A' ' 52' ' ' ASN . 2.1 tm? -147.58 132.34 17.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.222 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.635 ' N ' HD21 ' A' ' 51' ' ' LEU . 37.6 t-20 -133.27 146.88 51.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.243 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 64.1 m -117.83 144.66 45.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.105 . . . . 0.0 108.373 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.8 p -158.12 165.01 36.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.565 1.166 . . . . 0.0 108.358 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -124.46 25.51 7.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.492 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 0.9 OUTLIER -104.09 145.3 30.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.486 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.3 136.15 51.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.561 ' CZ ' ' HG1' ' A' ' 14' ' ' THR . 0.3 OUTLIER 58.98 19.38 7.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.254 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.528 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 1.4 p -69.74 -10.41 58.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 108.226 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.504 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -90.33 82.15 5.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 1.029 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 35.0 p-10 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.475 ' HG3' ' CG2' ' A' ' 14' ' ' THR . 1.8 pt-20 -100.43 130.18 46.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.416 ' SG ' ' OD1' ' A' ' 60' ' ' ASN . 1.7 m -128.57 167.96 16.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 108.357 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.637 ' CD2' ' CG ' ' A' ' 58' ' ' ARG . 27.7 m-70 -71.63 154.3 41.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.074 . . . . 0.0 109.524 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.536 ' OD1' ' OG1' ' A' ' 13' ' ' THR . 1.9 p30 -119.64 -35.17 3.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.52 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 0.9 OUTLIER -45.71 150.49 0.51 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.423 1.077 . . . . 0.0 110.235 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.406 ' HG2' ' OE1' ' A' ' 37' ' ' GLU . 6.2 mt-30 -130.4 157.21 43.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.26 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.511 ' O ' HD13 ' A' ' 36' ' ' ILE . 1.7 m 60.62 -97.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.2 m -134.64 40.08 2.98 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.508 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -73.18 176.89 2.25 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.508 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -75.1 171.11 18.95 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.506 1.793 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.52 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 18.4 Cg_endo -74.99 99.25 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.449 1.763 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.536 ' OG1' ' OD1' ' A' ' 5' ' ' ASN . 1.6 p -130.28 140.72 50.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.4 1.063 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.475 ' CG2' ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -136.96 164.19 28.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 110.42 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 4.7 pttp -163.03 153.37 16.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 m -86.8 124.37 32.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 55.8 m -86.73 150.03 24.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 108.283 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.94 146.35 45.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 0.0 109.963 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.06 -50.2 4.13 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.456 ' OE2' ' N ' ' A' ' 21' ' ' THR . 6.9 tp10 -91.44 133.29 35.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 0.725 . . . . 0.0 110.298 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.456 ' N ' ' OE2' ' A' ' 20' ' ' GLU . 72.6 p -116.33 44.01 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.375 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.403 ' ND2' ' C ' ' A' ' 21' ' ' THR . 4.9 m-80 -148.69 169.43 20.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 87.5 m -148.03 146.42 28.88 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.495 1.122 . . . . 0.0 108.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.591 ' CG ' ' CD ' ' A' ' 43' ' ' PRO . 18.5 p90 -140.59 155.28 46.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.78 143.09 49.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HB3' HD22 ' A' ' 51' ' ' LEU . 6.0 ptmt -138.93 141.87 38.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 16.2 p90 -150.55 159.79 44.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.168 . . . . 0.0 107.993 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.924 ' CZ2' HG22 ' A' ' 35' ' ' ILE . 11.3 p90 -159.33 138.26 11.02 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 p -91.81 137.57 32.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.969 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.44 ' OD2' ' C ' ' A' ' 33' ' ' GLY . 4.0 p30 -97.62 -167.22 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -47.71 -62.79 1.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.578 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -135.23 54.36 1.93 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.477 1.111 . . . . 0.0 110.363 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.44 ' C ' ' OD2' ' A' ' 30' ' ' ASP . . . -167.85 -179.66 40.62 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.456 1.098 . . . . 0.0 110.993 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.0 m -140.89 119.41 12.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 0.72 . . . . 0.0 110.423 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.924 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 4.6 mp -96.67 141.5 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.511 HD13 ' O ' ' A' ' 8' ' ' SER . 77.4 mt -126.17 150.8 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 38' ' ' ARG . 3.2 tp10 -154.65 144.2 21.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.502 ' HG2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -141.17 165.06 28.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.42 -175.47 47.44 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 4.6 m -105.44 155.28 19.29 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.41 -159.53 19.24 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 49.7 t -147.74 89.3 5.39 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.591 ' CD ' ' CG ' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -75.02 173.31 14.74 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.436 1.756 . . . . 0.0 110.999 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -84.61 137.62 33.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.162 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 p -79.3 112.61 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.205 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -86.87 156.76 55.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 124.84 8.92 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.62 -37.95 3.57 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.453 1.096 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 69.4 t -98.48 139.79 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.36 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.8 OUTLIER -84.15 132.41 34.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.528 HD11 ' C ' ' A' ' 51' ' ' LEU . 3.3 tm? -141.23 132.9 27.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.433 ' N ' HD11 ' A' ' 51' ' ' LEU . 5.7 t-20 -134.9 140.41 45.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 61.2 m -110.19 145.48 37.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 108.354 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' CYS . 1.5 p -158.63 160.37 36.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 108.352 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -124.84 24.25 7.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.513 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 1.2 p -101.26 147.63 26.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.601 1.188 . . . . 0.0 110.381 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.81 130.42 43.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.637 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 9.8 ttp-105 62.41 29.59 17.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.363 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.513 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.5 p -73.44 -6.58 47.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 108.268 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.502 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -93.52 82.97 4.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.689 ' OXT' ' CG ' ' A' ' 61' ' ' ASN . 24.7 p-10 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.453 ' CD2' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.516 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 5.4 tt0 -97.97 119.2 36.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.453 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 71.9 m -121.18 161.03 22.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 108.258 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.619 ' CE1' ' HD3' ' A' ' 58' ' ' ARG . 72.6 m-70 -70.72 153.97 42.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.627 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.536 ' OD1' ' OG1' ' A' ' 13' ' ' THR . 3.2 p30 -122.62 -35.4 3.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.409 1.068 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.526 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 1.8 pt20 -47.52 152.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 110.238 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.439 ' HG2' ' OE1' ' A' ' 37' ' ' GLU . 25.7 mt-30 -137.01 157.67 46.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.486 ' CA ' ' HB ' ' A' ' 36' ' ' ILE . 1.6 m 65.07 -96.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.946 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.8 p -137.06 33.95 2.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.034 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.487 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.2 mt-30 -69.42 175.55 2.12 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.487 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -75.03 171.38 18.44 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.422 1.749 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.526 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 18.0 Cg_endo -75.05 91.18 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.801 . . . . 0.0 110.949 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.536 ' OG1' ' OD1' ' A' ' 5' ' ' ASN . 1.6 p -120.35 140.75 50.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.577 ' HG1' ' CZ ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -128.69 166.91 18.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.443 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -156.31 155.37 32.15 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.7 m -93.86 126.48 39.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.1 m -98.25 151.26 20.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 108.281 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -126.61 144.44 50.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.454 1.096 . . . . 0.0 110.006 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.63 -41.01 3.07 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.448 ' OE2' ' ND2' ' A' ' 22' ' ' ASN . 6.3 tp10 -110.84 126.64 54.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 0.736 . . . . 0.0 110.269 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.464 ' C ' ' ND2' ' A' ' 22' ' ' ASN . 68.6 p -106.35 41.17 1.47 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.398 1.061 . . . . 0.0 110.43 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.464 ' ND2' ' C ' ' A' ' 21' ' ' THR . 3.4 m-80 -149.7 161.55 41.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.07 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 41.9 m -150.59 156.21 40.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.392 1.057 . . . . 0.0 108.312 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.567 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 26.5 p90 -140.27 161.14 38.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 0.0 111.041 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.66 153.47 46.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 2.4 ptpt -150.38 142.14 23.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.615 ' HB2' HD11 ' A' ' 36' ' ' ILE . 20.3 p90 -150.72 159.72 44.33 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.671 ' CZ2' HG23 ' A' ' 35' ' ' ILE . 15.5 p90 -160.15 132.8 6.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.057 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.8 p -84.66 152.85 23.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 110.006 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 32' ' ' ARG . 2.3 p30 -115.35 -161.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.06 -66.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.569 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.536 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 5.8 ttt180 -135.04 54.3 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.213 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.404 ' N ' ' OD1' ' A' ' 30' ' ' ASP . . . -166.25 -175.65 36.77 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.2 m -145.73 122.19 11.02 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.482 0.754 . . . . 0.0 110.389 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.671 HG23 ' CZ2' ' A' ' 28' ' ' TRP . 46.7 mm -99.19 140.73 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.615 HD11 ' HB2' ' A' ' 27' ' ' TRP . 8.7 mm -127.76 150.8 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 109.354 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.439 ' OE1' ' HG2' ' A' ' 7' ' ' GLN . 49.9 tp10 -157.29 140.72 15.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.349 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.645 ' CZ ' ' HA ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -141.09 160.54 39.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.87 -176.59 43.31 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 2.2 m -98.9 154.78 17.79 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.47 -165.82 19.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.556 1.16 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 50.3 t -151.44 87.69 4.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.567 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.2 Cg_endo -75.02 -178.95 4.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.575 1.829 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.73 125.62 31.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.818 HG22 ' HB3' ' A' ' 51' ' ' LEU . 14.4 p -78.37 113.46 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.375 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.26 153.59 46.57 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 137.59 21.79 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.433 1.754 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.04 -30.29 9.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.466 HG12 ' HB3' ' A' ' 28' ' ' TRP . 51.1 t -111.26 146.51 16.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.536 0.786 . . . . 0.0 109.34 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.443 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 76.8 m-20 -87.49 132.02 34.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.362 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.818 ' HB3' HG22 ' A' ' 45' ' ' VAL . 6.4 tt -153.03 138.37 17.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 0.0 109.392 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.688 ' N ' HD22 ' A' ' 51' ' ' LEU . 35.2 t-20 -137.49 139.32 40.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 21.8 m -109.4 143.77 38.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 108.279 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 p -156.74 163.91 38.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 108.246 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.4 ' HG2' ' OD1' ' A' ' 22' ' ' ASN . 31.1 mtt180 -121.81 17.63 11.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.436 ' O ' ' SG ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -99.71 148.97 23.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 2.3 m-20 -63.4 141.57 58.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.619 ' HD3' ' CE1' ' A' ' 4' ' ' HIS . 0.7 OUTLIER 48.02 24.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.362 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' A' ' 56' ' ' THR . 15.5 p -72.11 -27.22 62.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 108.315 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.44 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 35.9 p30 -94.99 84.39 4.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 1.084 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 10.7 p30 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.83 HD12 ' CA ' ' A' ' 21' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.515 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 12.8 pt-20 -101.58 118.7 37.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.459 ' C ' ' CG2' ' A' ' 14' ' ' THR . 64.9 m -103.97 153.07 21.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 108.328 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.578 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 7.9 m-70 -68.24 153.9 42.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.686 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.552 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 0.6 OUTLIER -121.88 -40.7 2.5 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.464 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -38.76 146.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.298 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.481 ' CG ' ' HG2' ' A' ' 37' ' ' GLU . 10.6 tm0? -121.95 148.77 44.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.357 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.557 ' N ' ' O ' ' A' ' 36' ' ' ILE . 1.8 m 63.55 -97.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.016 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.98 33.31 3.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.57 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 1.0 OUTLIER -63.01 178.94 0.33 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.406 1.066 . . . . 0.0 110.327 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.57 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -74.97 172.33 16.58 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.553 1.818 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 104.61 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.554 1.818 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.552 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 1.4 p -138.74 142.87 38.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.418 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.519 ' HG1' ' NE ' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -138.94 169.93 16.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.422 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -161.27 142.22 11.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m -67.3 130.78 44.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.602 1.189 . . . . 0.0 110.388 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.1 m -95.33 173.22 7.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 108.302 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.4 p -60.25 -157.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.051 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.3 57.41 0.44 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.471 1.107 . . . . 0.0 111.07 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.457 ' HG2' ' N ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -139.48 139.6 37.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.293 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.83 ' CA ' HD12 ' A' ' 1' ' ' LEU . 22.4 p -121.3 52.79 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.472 ' ND2' ' C ' ' A' ' 21' ' ' THR . 4.4 m-80 -152.74 156.9 40.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.468 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 8.9 m -144.92 155.39 43.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 108.294 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.605 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 4.7 p90 -133.98 160.47 37.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.509 ' O ' HD13 ' A' ' 51' ' ' LEU . 5.6 mttp -123.4 155.15 37.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 12.4 ptpt -148.56 131.86 16.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.527 ' CE2' ' HB3' ' A' ' 50' ' ' ASN . 34.3 p90 -150.57 161.11 43.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 107.976 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.671 ' CH2' HG22 ' A' ' 35' ' ' ILE . 15.8 p90 -159.78 141.09 12.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 108.0 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 76.1 p -91.15 146.89 23.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.43 ' OD2' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -115.86 -170.79 1.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 109.295 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.42 -61.14 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.639 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.75 55.61 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.43 ' HA3' ' OD2' ' A' ' 30' ' ' ASP . . . -174.74 -176.84 43.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 m -153.89 122.29 6.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.802 . . . . 0.0 110.361 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.671 HG22 ' CH2' ' A' ' 28' ' ' TRP . 3.8 mp -98.49 135.21 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.557 ' O ' ' N ' ' A' ' 8' ' ' SER . 2.0 mt -126.16 151.14 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.481 ' HG2' ' CG ' ' A' ' 7' ' ' GLN . 9.2 tm-20 -162.53 147.77 12.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.812 ' NH2' ' O ' ' A' ' 61' ' ' ASN . 2.0 mpt_? -120.11 170.89 8.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.482 ' HA3' ' CZ ' ' A' ' 24' ' ' TYR . . . -169.68 -179.92 41.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.71 149.92 28.31 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.71 -162.28 21.3 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.1 t -147.35 89.83 5.41 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.605 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -74.96 -179.97 5.5 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.418 1.746 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -83.82 140.18 32.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 45' ' ' VAL . 26.2 m -78.65 113.96 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.35 151.75 38.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.42 34.01 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.469 1.773 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.8 -7.5 62.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 110.947 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.1 t -129.72 140.02 50.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.527 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 1.5 m120 -88.54 130.32 35.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 25' ' ' LYS . 18.4 tp -137.96 138.8 39.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.457 ' CG ' ' NZ ' ' A' ' 25' ' ' LYS . 14.0 t-20 -129.44 146.75 51.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.2 m -128.99 140.75 51.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.256 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -153.45 162.58 41.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 108.262 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -121.11 19.86 11.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.431 ' O ' ' SG ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -107.56 145.28 33.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.382 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -64.0 143.06 58.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.578 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 0.1 OUTLIER 48.49 25.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 56' ' ' THR . 29.7 p -68.24 -28.76 67.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 108.309 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.548 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 15.3 p30 -89.53 89.23 7.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.364 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.812 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 13.7 t30 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.225 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.78 HD11 ' CA ' ' A' ' 21' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.662 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 13.6 pt-20 -96.27 120.7 37.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.61 1.194 . . . . 0.0 110.301 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.184 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 72.2 m -106.91 162.23 14.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 108.294 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 1.0 OUTLIER -67.5 160.57 27.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.601 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -130.31 -46.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.523 ' NE2' ' CE1' ' A' ' 4' ' ' HIS . 0.1 OUTLIER -39.33 148.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.406 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 8.7 tm0? -127.03 151.15 48.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.353 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m 62.46 -96.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 p -135.78 39.12 2.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.953 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.553 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.3 OUTLIER -71.95 177.61 1.64 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.553 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -74.89 174.6 12.47 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.504 1.792 . . . . 0.0 110.963 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 106.58 2.3 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.566 1.824 . . . . 0.0 110.99 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.2 p -141.42 139.93 33.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.646 HG22 ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -129.5 174.75 9.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.439 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.12 140.44 7.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 m -75.71 133.38 40.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.395 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.8 m -97.88 156.0 16.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 108.247 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 19' ' ' GLY . 3.7 t -103.59 150.48 23.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' SER . . . 34.84 42.9 0.37 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' A' ' 41' ' ' GLY . 1.0 OUTLIER -161.4 140.8 10.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 110.313 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.78 ' CA ' HD11 ' A' ' 1' ' ' LEU . 23.2 p -137.98 47.81 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.502 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.463 ' ND2' ' C ' ' A' ' 21' ' ' THR . 3.7 m-80 -149.83 152.95 35.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.5 m -145.93 150.74 36.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 108.311 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.576 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 15.9 p90 -139.89 156.28 46.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.447 1.092 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' CD ' ' HA ' ' A' ' 60' ' ' ASN . 1.7 pttm -128.01 143.69 51.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 10.7 ptmt -139.6 148.05 41.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.403 1.064 . . . . 0.0 109.369 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.438 ' HB2' HD11 ' A' ' 36' ' ' ILE . 17.1 p90 -150.46 159.18 44.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 108.01 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 7.7 p90 -160.89 131.26 5.18 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.0 p -82.89 149.95 26.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.449 ' OD1' ' C ' ' A' ' 33' ' ' GLY . 4.9 p-10 -113.18 -163.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -47.52 -61.6 1.84 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.594 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.35 57.27 1.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.349 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.449 ' C ' ' OD1' ' A' ' 30' ' ' ASP . . . -172.03 -173.16 38.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.444 HG21 HD12 ' A' ' 36' ' ' ILE . 3.0 m -149.35 119.88 7.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 0.741 . . . . 0.0 110.442 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.405 ' O ' HD11 ' A' ' 36' ' ' ILE . 4.1 mt -99.81 141.13 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.444 HD12 HG21 ' A' ' 34' ' ' THR . 4.9 mm -124.02 151.56 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.407 ' OE2' ' O ' ' A' ' 38' ' ' ARG . 30.5 tp10 -153.44 141.44 20.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 110.238 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.483 ' CZ ' ' HA ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -140.83 162.49 35.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.351 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -178.8 -178.0 47.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 1.184 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.9 OUTLIER -94.76 171.7 8.62 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.506 ' N ' ' OE1' ' A' ' 20' ' ' GLU . . . 81.75 -160.5 41.29 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.436 1.085 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.4 t -153.74 90.27 3.37 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.576 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -74.94 178.89 6.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.559 1.82 . . . . 0.0 111.041 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.93 127.55 33.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.725 HG22 ' HB3' ' A' ' 51' ' ' LEU . 10.0 p -78.92 114.88 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.383 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -91.57 157.46 41.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.578 1.174 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 135.28 18.73 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.472 1.775 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.8 -29.52 11.19 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.475 1.109 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 74.6 t -110.67 141.56 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.424 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 81.5 m-20 -88.66 131.1 35.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.725 ' HB3' HG22 ' A' ' 45' ' ' VAL . 8.2 tp -150.65 131.3 13.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.561 ' N ' HD11 ' A' ' 51' ' ' LEU . 5.9 t-20 -129.77 133.85 47.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.8 m -106.09 142.31 36.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 108.293 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.95 159.58 44.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 108.3 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -108.69 16.25 23.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.475 ' O ' ' SG ' ' A' ' 59' ' ' CYS . 1.2 p -103.11 143.1 33.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 110.368 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 1.9 m-20 -65.56 145.76 55.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.575 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 4.9 ttp180 49.15 22.33 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.475 ' SG ' ' O ' ' A' ' 56' ' ' THR . 15.4 p -72.68 -22.18 60.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.491 1.119 . . . . 0.0 108.401 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 7.2 p-10 -89.87 90.75 8.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 1.124 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 7.5 t-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.521 ' CD2' ' SG ' ' A' ' 23' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.488 ' CB ' ' OD1' ' A' ' 57' ' ' ASP . 1.7 tt0 -94.31 114.3 26.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.259 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 71.9 m -102.52 159.18 15.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.453 1.096 . . . . 0.0 108.34 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.656 ' CD2' ' CG ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -68.94 165.21 20.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.597 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -127.86 -46.62 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.544 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -38.31 144.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.341 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.419 ' CG ' ' HG2' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -120.64 153.78 36.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m 57.41 -95.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 p -135.01 42.53 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.566 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -73.57 178.47 1.54 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.566 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.0 Cg_endo -75.09 175.15 11.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.456 1.767 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 105.21 2.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.518 1.799 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.461 ' O ' ' ND1' ' A' ' 4' ' ' HIS . 7.4 p -141.48 139.39 33.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.378 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 3' ' ' CYS . 0.7 OUTLIER -132.38 170.78 14.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.553 1.158 . . . . 0.0 110.364 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -157.33 156.26 32.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -81.59 137.92 35.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 33.4 m -90.29 167.97 12.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 108.329 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -83.25 -161.61 0.52 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.018 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -38.4 -28.46 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.102 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.516 ' OE2' ' CA ' ' A' ' 41' ' ' GLY . 2.6 tt0 -78.37 133.26 37.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 0.0 110.229 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 21' ' ' THR . 10.1 t -121.05 72.25 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -147.6 160.99 42.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.521 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 99.3 m -141.7 140.16 33.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.534 1.146 . . . . 0.0 108.293 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.58 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 1.7 p90 -140.13 156.63 46.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.773 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -131.03 141.86 50.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -140.35 131.81 26.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.489 ' CE2' ' HB3' ' A' ' 50' ' ' ASN . 23.9 p90 -142.51 159.3 42.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 107.992 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.5 p90 -160.6 133.89 6.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 108.003 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.9 p -87.5 138.21 31.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.045 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.445 ' OD2' ' HA3' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -101.49 -170.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 109.283 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.8 -61.22 2.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.556 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.54 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 1.9 ttp-105 -134.78 56.48 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.347 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.445 ' HA3' ' OD2' ' A' ' 30' ' ' ASP . . . -177.45 -176.91 45.9 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.2 m -152.72 119.87 5.85 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.534 0.785 . . . . 0.0 110.438 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.8 mm -100.15 140.45 19.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.589 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.5 mp -125.82 150.31 31.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.39 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.419 ' HG2' ' CG ' ' A' ' 7' ' ' GLN . 4.7 tm-20 -149.76 148.64 29.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.589 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 2.1 mpt_? -144.65 161.3 39.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.62 -178.37 48.38 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.471 ' O ' ' CE2' ' A' ' 24' ' ' TYR . 6.8 m -86.62 168.0 14.03 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.516 ' CA ' ' OE2' ' A' ' 20' ' ' GLU . . . 82.16 -160.25 40.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.546 1.154 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.17 100.13 1.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.561 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -74.97 -178.3 4.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.525 1.802 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.95 136.73 35.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 45' ' ' VAL . 13.9 m -79.03 113.41 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.74 151.91 37.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 140.01 24.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.6 -15.5 61.89 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.5 t -124.3 147.91 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.409 0.711 . . . . 0.0 109.253 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.489 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 63.4 m-80 -94.89 132.18 39.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.773 HD13 ' O ' ' A' ' 25' ' ' LYS . 34.6 tp -145.06 142.43 29.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.491 ' H ' HD13 ' A' ' 51' ' ' LEU . 11.4 t-20 -132.09 149.21 52.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.2 m -121.68 139.72 53.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.414 ' SG ' ' HE3' ' A' ' 25' ' ' LYS . 5.1 p -160.74 166.12 29.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 108.271 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -129.35 29.22 5.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.474 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -102.37 148.37 25.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.373 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.488 ' OD1' ' CB ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -66.27 131.3 45.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.241 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.656 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 43.9 ttp85 55.45 28.69 12.0 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.537 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 1.7 p -71.43 -12.66 61.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 108.308 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.547 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -89.17 87.45 7.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.405 ' OXT' ' CG ' ' A' ' 61' ' ' ASN . 15.7 p-10 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.732 HD11 ' HA ' ' A' ' 21' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -91.55 119.62 31.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.676 ' SG ' HD22 ' A' ' 1' ' ' LEU . 70.8 m -125.95 169.92 12.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.316 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.641 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 56.0 m-70 -71.48 158.8 35.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.546 1.154 . . . . 0.0 109.598 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.562 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 1.4 p30 -128.28 -40.13 1.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.548 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 1.5 pt20 -40.17 152.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.458 ' HG2' ' N ' ' A' ' 8' ' ' SER . 39.1 tt0 -130.13 149.45 51.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.458 ' N ' ' HG2' ' A' ' 7' ' ' GLN . 1.7 m 67.05 -97.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.028 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.67 30.04 3.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.518 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -62.05 178.79 0.3 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.518 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -75.02 170.59 20.07 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.548 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 18.2 Cg_endo -75.01 94.61 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.562 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 1.1 p -124.8 144.53 50.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.379 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.509 HG21 ' O ' ' A' ' 3' ' ' CYS . 0.4 OUTLIER -127.36 175.03 8.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -166.24 146.47 6.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -91.89 129.25 37.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.347 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.6 m -92.74 160.13 15.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 108.262 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.8 m -111.63 145.64 38.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 110.049 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 43.88 28.21 1.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.555 1.16 . . . . 0.0 111.037 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' OE1' ' HA ' ' A' ' 20' ' ' GLU . 5.6 tp10 -140.91 131.41 25.36 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.503 0.766 . . . . 0.0 110.386 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.732 ' HA ' HD11 ' A' ' 1' ' ' LEU . 6.3 t -128.98 38.7 3.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.401 HD22 ' NH2' ' A' ' 55' ' ' ARG . 7.6 m-80 -148.04 149.36 31.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.447 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 6.9 m -152.29 149.01 28.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 108.322 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.68 ' CD2' HD12 ' A' ' 51' ' ' LEU . 18.0 p90 -140.89 158.88 43.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.71 ' HD3' ' H ' ' A' ' 61' ' ' ASN . 4.8 pttp -124.8 142.38 51.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.507 ' HB3' HD13 ' A' ' 51' ' ' LEU . 1.3 ptpt -131.78 143.7 50.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 22.1 p90 -149.34 158.58 44.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 108.022 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.72 ' CZ2' HG22 ' A' ' 35' ' ' ILE . 30.8 p90 -160.82 134.7 6.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 108.042 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 m -84.24 137.55 33.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.465 1.103 . . . . 0.0 109.95 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.419 ' OD2' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -101.75 -170.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -48.05 -62.83 1.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.547 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.529 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 5.1 ttt180 -133.39 54.46 1.95 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.419 ' HA3' ' OD2' ' A' ' 30' ' ' ASP . . . -177.95 -172.59 42.56 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.1 m -149.93 124.68 9.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 0.735 . . . . 0.0 110.384 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.72 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 94.6 mt -97.78 139.76 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.457 ' HB ' ' CA ' ' A' ' 8' ' ' SER . 5.7 mm -124.16 151.34 29.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -156.05 146.53 21.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.591 ' CZ ' ' HA ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -147.39 157.79 43.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.72 177.19 48.04 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.447 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.3 m -84.37 169.14 14.92 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.22 -169.05 37.54 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -161.77 79.66 2.03 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 177.29 8.8 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.501 1.79 . . . . 0.0 110.965 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.71 106.63 17.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.72 HG23 ' CB ' ' A' ' 51' ' ' LEU . 12.4 p -78.51 119.74 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.405 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.36 170.52 15.93 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 146.2 32.2 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.453 1.765 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.33 -31.84 7.31 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.564 1.165 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.8 t -112.05 151.15 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.781 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -96.52 140.22 31.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.72 ' CB ' HG23 ' A' ' 45' ' ' VAL . 8.5 tt -157.84 147.46 20.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.601 ' N ' HD21 ' A' ' 51' ' ' LEU . 46.7 t-20 -136.31 137.09 40.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.7 m -113.08 140.61 47.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 108.323 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -158.16 163.23 37.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 108.353 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.401 ' NH2' HD22 ' A' ' 22' ' ' ASN . 21.7 mtp85 -118.16 22.38 12.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.456 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -103.77 146.9 27.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.382 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.1 140.05 58.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.641 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 1.8 mtp-105 48.52 28.75 1.84 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.448 1.092 . . . . 0.0 110.268 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.456 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 13.0 p -81.39 -24.28 37.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 108.253 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 42.8 p-10 -94.76 84.71 4.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.71 ' H ' ' HD3' ' A' ' 25' ' ' LYS . 10.1 t-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.252 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.811 HD12 ' HA ' ' A' ' 21' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.58 ' HG3' HG23 ' A' ' 14' ' ' THR . 2.7 pt-20 -102.66 130.15 49.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.3 m -115.89 175.82 5.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 108.327 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.667 ' CD2' ' CG ' ' A' ' 58' ' ' ARG . 9.6 m-70 -66.93 169.19 8.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.561 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -131.12 -44.58 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.545 ' NE2' HH22 ' A' ' 38' ' ' ARG . 0.0 OUTLIER -40.82 151.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.505 ' OE1' ' CB ' ' A' ' 8' ' ' SER . 1.6 tm0? -124.9 145.25 49.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.226 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.505 ' CB ' ' OE1' ' A' ' 7' ' ' GLN . 1.8 m 64.73 -97.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.031 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.9 m -133.61 35.37 3.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.068 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.557 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -66.95 -178.67 0.36 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.557 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -75.05 173.47 14.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.8 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 109.45 2.93 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.785 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.6 p -142.16 136.67 30.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.399 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.58 HG23 ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -126.73 164.4 21.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.44 168.76 7.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.7 m -71.02 137.29 48.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -84.91 172.61 11.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.587 1.18 . . . . 0.0 108.293 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -73.14 -160.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.63 57.69 0.49 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.481 ' OE1' ' N ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -147.22 155.18 41.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 0.764 . . . . 0.0 110.29 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.811 ' HA ' HD12 ' A' ' 1' ' ' LEU . 2.5 t -117.92 28.66 8.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.441 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.582 ' ND2' HG21 ' A' ' 21' ' ' THR . 4.2 m-80 -152.15 158.46 42.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 90.5 m -146.1 155.54 42.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 108.269 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.541 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 27.5 p90 -138.1 160.9 38.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.749 ' HZ3' ' HB3' ' A' ' 52' ' ' ASN . 1.0 OUTLIER -116.31 156.37 26.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -151.83 128.4 10.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.515 ' CE2' ' HB3' ' A' ' 50' ' ' ASN . 13.9 p90 -148.44 162.02 40.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.4 ' CZ2' HD11 ' A' ' 35' ' ' ILE . 13.4 p90 -158.55 138.35 12.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 108.039 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 m -83.68 143.85 29.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 32' ' ' ARG . 2.3 p30 -113.25 -162.6 0.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -49.81 -62.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.642 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.45 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 31.8 mtt180 -139.59 53.06 1.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.429 ' CA ' ' OD2' ' A' ' 30' ' ' ASP . . . -170.62 -174.29 38.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.6 m -153.84 126.24 8.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 110.351 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' A' ' 27' ' ' TRP . 3.1 mt -100.39 137.52 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.401 ' HB ' ' O ' ' A' ' 8' ' ' SER . 19.4 mt -131.01 147.75 33.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.454 ' OE1' ' CG ' ' A' ' 7' ' ' GLN . 33.5 tp10 -157.98 149.23 21.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.73 ' NH2' ' HA ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -132.14 166.75 21.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.36 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.13 -179.07 47.31 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.5 m -90.05 175.73 7.06 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.427 ' HA2' ' CD ' ' A' ' 20' ' ' GLU . . . 76.07 -165.14 53.99 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 40.6 t -155.22 92.82 2.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.541 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -75.03 -179.24 4.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.446 1.761 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -83.22 133.69 35.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.522 HG11 HD21 ' A' ' 51' ' ' LEU . 32.7 m -79.13 113.54 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.085 . . . . 0.0 109.254 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.17 151.7 47.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.253 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 141.16 26.22 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.522 1.801 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.2 -32.59 5.82 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.576 1.172 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.2 t -102.09 142.49 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.515 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -85.34 133.75 34.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 109.284 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.522 HD21 HG11 ' A' ' 45' ' ' VAL . 3.6 tt -156.58 133.5 10.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.749 ' HB3' ' HZ3' ' A' ' 25' ' ' LYS . 12.4 t-20 -129.89 145.2 51.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.246 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.0 m -121.61 142.41 50.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 108.302 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.8 p -155.07 163.54 40.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 108.312 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.497 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 3.6 mtt85 -123.11 22.73 9.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.452 ' O ' ' SG ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -106.17 145.11 31.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 0.9 OUTLIER -60.93 139.71 57.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.336 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.667 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 40.9 ttp180 47.71 31.5 2.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 110.3 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 56' ' ' THR . 16.0 p -81.35 -22.67 38.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 108.334 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.517 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 39.9 p-10 -93.93 88.28 5.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.73 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 8.9 p-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.431 HD21 ' SG ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -94.9 118.97 32.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 14' ' ' THR . 56.4 m -128.77 169.6 14.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.308 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.619 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 92.9 m-70 -75.84 157.34 33.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.548 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.489 ' OD1' ' OG1' ' A' ' 13' ' ' THR . 1.3 p30 -119.89 -37.71 3.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.51 ' NE2' HH22 ' A' ' 38' ' ' ARG . 0.0 OUTLIER -36.57 149.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.091 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' A' ' 10' ' ' GLN . 34.9 tt0 -124.17 151.19 44.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.421 ' N ' ' HG2' ' A' ' 7' ' ' GLN . 1.7 m 62.32 -97.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.944 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 p -136.17 35.93 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.406 1.066 . . . . 0.0 110.021 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.556 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -66.71 -178.65 0.35 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.556 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.5 Cg_endo -74.98 170.42 20.45 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.537 1.809 . . . . 0.0 111.05 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.87 2.82 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.526 1.803 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.536 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 1.8 p -140.87 138.25 33.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.427 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -125.07 169.39 12.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 110.413 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.432 ' HZ1' ' C ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -167.46 149.83 5.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.432 ' C ' ' HZ1' ' A' ' 15' ' ' LYS . 19.0 m -87.32 132.12 34.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.398 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.408 ' SG ' ' NZ ' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -91.35 152.44 20.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 108.313 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.1 p -102.57 149.64 24.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.065 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 39.71 38.57 1.12 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.549 1.156 . . . . 0.0 111.033 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -157.3 135.97 11.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.413 ' C ' HD11 ' A' ' 1' ' ' LEU . 5.4 t -131.7 38.23 3.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.359 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -146.61 163.48 35.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.587 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 97.6 m -150.6 147.44 27.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 108.38 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.569 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 43.4 p90 -134.96 156.18 49.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.943 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.836 ' O ' HD21 ' A' ' 51' ' ' LEU . 7.8 mttm -109.5 148.91 30.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.446 ' HB3' HD22 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -147.72 127.97 13.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.428 1.08 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.573 ' CE2' ' CB ' ' A' ' 50' ' ' ASN . 22.8 p90 -151.32 159.84 44.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 107.989 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 9.4 p90 -160.28 143.24 13.49 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.0 p -80.18 137.58 36.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.945 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 32' ' ' ARG . 2.3 p30 -101.58 -161.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -49.73 -62.64 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.613 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.421 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 4.0 mtt180 -139.55 53.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.59 -175.14 40.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.602 1.189 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.565 HG23 HD12 ' A' ' 36' ' ' ILE . 4.2 m -136.62 123.56 21.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 0.8 . . . . 0.0 110.468 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.4 mt -95.52 133.26 37.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.565 HD12 HG23 ' A' ' 34' ' ' THR . 6.2 mm -119.38 147.75 22.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 38' ' ' ARG . 48.6 tp10 -161.49 156.55 23.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.51 HH22 ' NE2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -131.29 176.72 8.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.578 1.174 . . . . 0.0 110.239 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.521 ' HA3' ' CZ ' ' A' ' 24' ' ' TYR . . . -174.04 174.7 46.44 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.412 1.07 . . . . 0.0 111.05 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 69.0 m -104.6 148.27 26.71 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.86 -153.55 20.64 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 47.2 t -149.78 94.3 3.85 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.569 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 18.5 Cg_endo -74.95 178.64 6.97 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.23 137.35 33.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.701 HG13 HD11 ' A' ' 51' ' ' LEU . 17.0 m -78.99 113.4 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.09 153.26 37.86 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 146.78 33.35 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.485 1.782 . . . . 0.0 111.053 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.31 -10.16 64.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 66.3 t -129.67 139.16 52.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.486 0.757 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.573 ' CB ' ' CE2' ' A' ' 27' ' ' TRP . 57.6 m-80 -86.83 129.28 34.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.243 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.836 HD21 ' O ' ' A' ' 25' ' ' LYS . 2.9 tm? -137.52 133.77 34.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.412 ' N ' HD12 ' A' ' 51' ' ' LEU . 6.5 t-20 -132.47 149.12 52.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 55.0 m -125.1 142.42 51.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 108.29 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.9 p -154.63 164.41 38.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.598 1.186 . . . . 0.0 108.26 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -129.52 21.67 5.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.434 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -105.74 147.85 28.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 110.391 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.43 141.02 58.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.619 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 6.4 mtm180 49.85 25.95 1.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 56' ' ' THR . 19.9 p -71.46 -30.64 66.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 108.317 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.587 ' ND2' ' HB3' ' A' ' 23' ' ' CYS . 33.1 p30 -98.27 87.51 3.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.609 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . 36.7 t-20 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.488 HD11 ' CA ' ' A' ' 21' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.671 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 3.0 tt0 -97.4 120.2 37.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.352 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.578 ' O ' HG21 ' A' ' 14' ' ' THR . 94.1 m -121.32 160.81 23.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 108.284 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 22.9 m-70 -74.0 163.28 28.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.56 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' GLN . 1.3 m-20 -130.68 -43.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.542 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.2 OUTLIER -37.65 145.71 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.513 ' CG ' ' OE1' ' A' ' 37' ' ' GLU . 0.2 OUTLIER -125.38 153.38 43.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.481 ' O ' HD11 ' A' ' 36' ' ' ILE . 1.6 m 58.69 -95.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 110.035 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.98 44.83 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 109.94 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.538 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.0 mt-30 -77.82 177.53 2.69 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.542 ' O ' ' HB3' ' A' ' 6' ' ' GLN . 18.2 Cg_endo -74.97 173.56 14.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 0.0 111.043 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 92.95 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 p -124.71 138.6 54.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.578 HG21 ' O ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -127.87 172.77 10.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.377 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -157.68 158.79 36.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.358 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.8 m -98.67 128.17 44.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.341 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.3 m -100.01 149.31 23.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 108.308 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.07 155.45 41.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.55 -48.5 3.68 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.586 1.178 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.564 ' OE2' ' N ' ' A' ' 41' ' ' GLY . 0.0 OUTLIER -114.71 141.42 47.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.542 ' N ' ' HG2' ' A' ' 20' ' ' GLU . 67.0 p -117.66 51.01 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.399 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.455 ' ND2' ' C ' ' A' ' 21' ' ' THR . 3.3 m-80 -148.65 156.81 42.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.242 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 58.3 m -150.98 157.73 43.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 108.289 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.548 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 17.1 p90 -141.36 162.28 35.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.093 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -123.37 153.56 40.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 10.3 ptmt -150.52 136.16 18.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 18.3 p90 -150.14 162.36 40.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 108.027 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.0 p90 -160.08 134.77 7.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 107.99 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.6 p -89.53 143.8 26.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.597 1.185 . . . . 0.0 109.946 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 33' ' ' GLY . 1.1 p-10 -105.42 -170.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -47.53 -63.42 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.607 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.534 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 2.8 ttm180 -132.4 55.75 1.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -170.97 -177.06 40.61 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.2 m -154.13 118.44 4.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 0.0 110.364 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.1 mt -100.9 140.08 20.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.424 1.078 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.481 HD11 ' O ' ' A' ' 8' ' ' SER . 4.3 mp -123.54 150.29 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.513 ' OE1' ' CG ' ' A' ' 7' ' ' GLN . 7.0 tp10 -151.66 141.66 22.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.81 ' NH2' ' O ' ' A' ' 61' ' ' ASN . 1.8 mpt_? -147.72 153.84 39.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.24 -174.46 43.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.2 m -91.37 161.5 14.98 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.564 ' N ' ' OE2' ' A' ' 20' ' ' GLU . . . 101.33 -172.99 23.67 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.3 t -154.08 78.93 5.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.548 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -74.98 -179.71 5.25 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 111.045 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -83.72 137.71 33.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.591 HG21 ' HB3' ' A' ' 51' ' ' LEU . 13.9 p -78.36 113.06 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.18 160.55 65.28 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 149.31 36.24 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.47 1.773 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 71.08 4.08 54.45 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.7 t -130.18 138.94 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.786 . . . . 0.0 109.369 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.466 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -89.94 132.76 35.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.234 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.591 ' HB3' HG21 ' A' ' 45' ' ' VAL . 3.5 tt -151.82 137.65 18.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -138.54 138.12 37.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.3 m -107.28 145.19 33.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.428 1.08 . . . . 0.0 108.345 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -153.87 159.86 41.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 108.294 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -115.13 11.79 16.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.243 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.484 ' O ' ' SG ' ' A' ' 59' ' ' CYS . 1.4 p -98.93 143.51 29.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 110.404 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.671 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 11.9 m-20 -66.69 147.16 53.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.531 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 11.3 mtm180 51.6 19.95 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 110.36 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 56' ' ' THR . 16.6 p -71.02 -24.26 62.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 108.331 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.44 ' C ' ' HG2' ' A' ' 38' ' ' ARG . 23.9 p30 -98.33 78.49 2.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 1.034 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 4.4 t-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 21' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.589 ' HG3' HG22 ' A' ' 14' ' ' THR . 8.1 pt-20 -100.95 125.01 47.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.594 ' O ' HG23 ' A' ' 14' ' ' THR . 72.3 m -103.45 167.44 9.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 108.345 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.608 ' CD2' ' CG ' ' A' ' 58' ' ' ARG . 0.8 OUTLIER -69.13 167.34 16.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.61 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -130.11 -43.56 1.19 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.489 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 1.0 OUTLIER -48.78 147.97 2.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.259 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -125.35 156.72 38.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.402 ' O ' ' HB ' ' A' ' 36' ' ' ILE . 1.8 m 58.97 -97.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.917 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.63 42.09 2.85 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 110.065 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.556 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -75.29 177.6 2.26 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.556 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -74.99 174.5 12.67 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.499 1.789 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 107.08 2.4 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.554 1.818 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.8 p -142.1 138.98 32.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.409 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -132.92 172.07 13.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.65 155.78 7.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.353 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -64.18 136.09 56.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.409 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 3' ' ' CYS . 1.2 m -91.56 174.29 7.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 108.344 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 t -82.76 -149.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.592 1.182 . . . . 0.0 109.984 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.36 57.12 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' A' ' 22' ' ' ASN . 0.7 OUTLIER -136.77 158.23 44.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 0.803 . . . . 0.0 110.329 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.603 HG22 ' ND2' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -135.12 19.12 3.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.603 ' ND2' HG22 ' A' ' 21' ' ' THR . 1.7 m-80 -143.08 148.99 37.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.447 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 13.6 m -133.64 142.75 48.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 108.239 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.497 ' CZ ' ' HG3' ' A' ' 43' ' ' PRO . 7.0 p90 -132.65 160.63 36.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.599 ' HZ2' ' H ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -121.84 160.0 25.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.352 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -151.22 136.97 18.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.555 ' CE2' ' CB ' ' A' ' 50' ' ' ASN . 24.1 p90 -149.35 159.7 44.05 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.404 ' HB3' HG12 ' A' ' 49' ' ' VAL . 11.1 p90 -160.16 143.97 14.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 108.009 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.6 p -85.38 156.04 21.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.089 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.96 -166.13 1.35 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -62.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.585 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.96 51.08 2.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.404 1.065 . . . . 0.0 110.316 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.86 -171.07 35.81 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.562 1.164 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.7 m -153.23 120.01 5.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 0.777 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.5 mm -97.76 138.78 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.497 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.2 mp -129.27 150.0 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -151.82 152.77 33.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.759 ' NH2' ' O ' ' A' ' 61' ' ' ASN . 2.0 mpt_? -146.45 149.77 34.32 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.17 -175.55 41.05 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.6 OUTLIER -88.7 173.95 8.3 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.56 -169.09 35.35 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.9 t -158.79 86.24 2.33 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.715 ' HG2' HD12 ' A' ' 51' ' ' LEU . 18.3 Cg_endo -75.0 179.5 6.02 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.543 1.812 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -83.7 135.56 34.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.427 ' O ' HG12 ' A' ' 45' ' ' VAL . 8.2 p -79.14 112.03 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.409 1.068 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.81 154.48 42.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 140.99 26.14 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.536 1.809 . . . . 0.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.63 -11.83 69.49 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.541 1.151 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.404 HG12 ' HB3' ' A' ' 28' ' ' TRP . 97.0 t -128.07 146.31 33.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 0.792 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.555 ' CB ' ' CE2' ' A' ' 27' ' ' TRP . 1.2 m120 -90.91 134.1 34.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.715 HD12 ' HG2' ' A' ' 43' ' ' PRO . 5.9 tt -152.05 134.91 15.59 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.504 ' N ' HD21 ' A' ' 51' ' ' LEU . 13.1 t-20 -140.24 142.17 35.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 68.3 m -115.51 147.49 40.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 108.284 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -151.18 163.4 38.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 108.307 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.491 ' CZ ' ' OD1' ' A' ' 22' ' ' ASN . 9.1 mtp85 -117.71 19.99 13.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.436 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -105.71 144.19 32.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.358 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.74 140.64 58.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.219 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.608 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 3.6 ttp180 48.04 29.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.436 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 26.6 p -72.08 -24.87 61.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.347 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 10.5 p30 -92.72 83.97 4.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.759 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 8.7 p-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.558 HD23 ' SG ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.489 ' HG2' ' CG2' ' A' ' 14' ' ' THR . 4.8 tt0 -98.5 119.03 36.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.558 ' SG ' HD23 ' A' ' 1' ' ' LEU . 91.8 m -131.13 168.12 17.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 108.266 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.577 ' CE1' ' CD ' ' A' ' 58' ' ' ARG . 54.9 m80 -70.67 162.53 28.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.602 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -130.06 -38.73 1.41 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.502 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 2.1 pt20 -41.68 154.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.418 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 11.4 pt20 -138.21 156.31 47.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.544 ' O ' HD13 ' A' ' 36' ' ' ILE . 1.7 m 66.01 -93.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.3 p -141.12 35.92 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.485 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -72.73 177.24 1.96 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -75.01 170.75 19.72 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.524 1.802 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.502 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 18.2 Cg_endo -74.97 84.05 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.798 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 p -110.22 140.84 43.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.489 ' CG2' ' HG2' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -127.38 171.13 11.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.12 152.3 12.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.1 m -93.48 132.98 37.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.419 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.8 m -99.84 152.4 20.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.262 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.28 131.25 56.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.037 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.56 -50.09 4.17 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -80.01 123.58 27.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 110.235 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.459 ' C ' ' ND2' ' A' ' 22' ' ' ASN . 7.2 t -114.59 39.38 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.459 ' ND2' ' C ' ' A' ' 21' ' ' THR . 3.0 m-80 -148.37 157.08 43.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.49 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 1.6 m -146.58 152.63 39.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 108.277 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.63 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 40.1 p90 -140.38 160.32 40.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -130.74 136.11 48.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 6.4 ptpt -131.43 139.9 49.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 20.8 p90 -150.64 158.3 43.99 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.513 ' CH2' HG21 ' A' ' 35' ' ' ILE . 9.2 p90 -162.06 134.92 5.98 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -85.84 148.61 25.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 33' ' ' GLY . 2.6 p30 -117.52 -161.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -46.13 -69.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.588 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -133.69 57.2 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 30' ' ' ASP . . . -174.2 -178.41 44.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 m -147.54 120.39 8.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 0.0 110.422 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.513 HG21 ' CH2' ' A' ' 28' ' ' TRP . 3.1 mp -95.41 132.75 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.63 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.8 mp -130.38 145.92 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 38' ' ' ARG . 7.4 tp10 -158.23 138.04 12.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.63 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 1.2 mpt_? -130.44 167.95 17.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.43 -175.41 47.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.566 1.166 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 1.2 m -94.66 157.61 15.89 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.63 -159.9 19.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.0 t -160.37 94.49 1.56 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.63 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.5 Cg_endo -75.0 -179.21 4.77 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.472 1.775 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.11 135.43 34.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.8 p -78.85 112.88 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.56 151.42 37.44 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 135.16 18.71 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.13 -26.28 23.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.546 1.154 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 88.9 t -113.25 140.89 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.5 OUTLIER -88.76 134.12 34.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.8 tp -149.86 142.55 24.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -140.17 131.34 26.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 35.6 m -109.33 143.53 38.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 108.296 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -156.43 163.84 38.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 108.306 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -118.94 21.81 12.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.242 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.473 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -101.16 148.18 25.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.388 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.1 137.8 58.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.577 ' CD ' ' CE1' ' A' ' 4' ' ' HIS . 6.5 mtm180 47.88 30.09 1.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.473 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 14.5 p -76.06 -19.03 58.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 108.331 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 39.1 p-10 -97.98 79.67 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.669 ' OXT' ' CG ' ' A' ' 61' ' ' ASN . 13.9 t30 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.475 HD13 ' OG1' ' A' ' 21' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -104.14 127.13 51.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.9 m -129.07 173.02 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 108.28 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.613 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 93.2 m-70 -79.01 160.24 27.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.403 1.065 . . . . 0.0 109.54 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.509 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -123.54 -33.14 3.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.553 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.6 OUTLIER -37.41 145.63 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.522 ' NE2' ' HB2' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -119.89 147.15 45.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.317 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m 62.95 -97.1 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 m -132.42 35.62 3.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.943 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.579 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 1.9 mt-30 -65.42 179.94 0.39 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.245 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.579 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.1 Cg_endo -75.03 170.82 19.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.535 1.808 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 83.81 1.77 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.467 1.772 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.509 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 3.1 p -112.15 139.04 48.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 110.369 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -123.91 171.33 9.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.358 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.79 158.07 12.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 m -94.43 132.86 38.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.329 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.3 m -90.31 156.03 18.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 108.286 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 19' ' ' GLY . 8.0 m -95.81 130.16 42.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 18' ' ' SER . . . 37.15 49.56 1.57 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 21' ' ' THR . 5.4 tp10 -149.92 128.23 12.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.475 ' OG1' HD13 ' A' ' 1' ' ' LEU . 5.0 t -123.42 31.94 5.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.433 1.083 . . . . 0.0 110.385 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -141.95 153.49 44.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 99.9 m -149.6 156.55 42.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.173 . . . . 0.0 108.326 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.593 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 29.2 p90 -140.93 160.03 40.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.707 ' HZ1' ' H ' ' A' ' 61' ' ' ASN . 2.7 mtpp -116.91 138.46 51.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.577 1.173 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -135.76 129.46 32.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.544 ' CE2' ' HB3' ' A' ' 50' ' ' ASN . 25.8 p90 -151.0 161.77 42.1 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 12.9 p90 -159.88 136.68 9.22 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -81.6 145.38 30.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.43 ' OD2' ' CA ' ' A' ' 33' ' ' GLY . 2.8 p30 -109.67 -163.18 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -49.37 -64.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.6 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.2 52.35 1.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 110.364 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.43 ' CA ' ' OD2' ' A' ' 30' ' ' ASP . . . -166.66 -171.77 33.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.538 1.149 . . . . 0.0 111.048 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 m -150.89 120.32 6.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.471 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.8 mt -97.51 134.91 33.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 36' ' ' ILE . 3.9 mp -126.35 150.79 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.522 ' HB2' ' NE2' ' A' ' 7' ' ' GLN . 4.9 tp10 -160.05 132.3 6.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.327 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 1.175 ' NH2' ' O ' ' A' ' 61' ' ' ASN . 1.7 mpt_? -123.51 153.46 40.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.62 -177.33 40.05 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.546 1.153 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -91.9 160.26 15.37 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.87 -172.02 23.23 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.439 1.087 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 47.0 t -152.35 88.97 3.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.593 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.5 Cg_endo -74.96 177.17 8.93 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.473 1.775 . . . . 0.0 111.098 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.464 ' C ' HD23 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -83.65 138.94 33.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.749 ' HA ' HD23 ' A' ' 51' ' ' LEU . 11.7 p -78.52 114.21 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.81 152.93 38.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.4 1.063 . . . . 0.0 109.348 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 135.03 18.69 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.4 -24.85 30.57 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.11 . . . . 0.0 111.006 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 90.7 t -114.93 142.99 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.544 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 64.4 m-80 -88.57 130.08 35.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.749 HD23 ' HA ' ' A' ' 45' ' ' VAL . 17.3 tp -145.3 131.8 19.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -133.28 148.35 51.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 63.0 m -121.25 147.78 45.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 108.342 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.4 p -156.59 164.98 37.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 108.328 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -129.5 23.27 5.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.46 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -106.68 148.08 28.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.467 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -61.73 138.43 58.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 109.387 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.613 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 11.6 mtm180 49.18 29.07 2.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 110.257 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.46 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 23.2 p -70.51 -30.46 67.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 108.303 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.507 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 35.2 p30 -97.25 79.72 2.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 1.175 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 52.8 t-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.861 HD13 ' HA ' ' A' ' 21' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.602 ' HG3' HG21 ' A' ' 14' ' ' THR . 2.8 pt-20 -104.76 124.84 50.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.174 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 63.5 m -114.93 162.72 16.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 108.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.562 ' CE1' ' HD3' ' A' ' 58' ' ' ARG . 30.7 m-70 -78.12 157.85 29.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.609 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.535 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 0.5 OUTLIER -120.37 -40.91 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.419 ' OE1' ' O ' ' A' ' 11' ' ' PRO . 0.4 OUTLIER -46.79 151.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.408 ' CB ' ' OE1' ' A' ' 37' ' ' GLU . 7.1 pm0 -139.5 160.54 39.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.405 ' CA ' ' HB ' ' A' ' 36' ' ' ILE . 1.9 m 65.47 -94.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 109.965 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.28 31.33 1.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.455 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -67.98 175.59 1.69 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 110.326 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -74.94 172.74 15.76 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.467 1.772 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 109.74 2.99 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.496 1.787 . . . . 0.0 111.043 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.535 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 1.7 p -140.56 140.9 35.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.429 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.602 HG21 ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -140.65 169.05 18.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.478 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -167.48 157.81 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.9 m -77.22 130.69 37.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.7 m -89.94 169.21 11.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 108.324 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 20' ' ' GLU . 12.8 m -68.25 -149.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.043 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.27 57.05 0.18 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.12 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.9 OUTLIER -127.5 141.78 51.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 0.765 . . . . 0.0 110.307 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.861 ' HA ' HD13 ' A' ' 1' ' ' LEU . 50.4 p -127.23 31.17 5.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.492 ' ND2' ' C ' ' A' ' 21' ' ' THR . 2.5 m-80 -149.54 154.06 38.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.52 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 31.3 m -145.19 141.69 28.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.328 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.563 ' CE2' HD11 ' A' ' 51' ' ' LEU . 15.2 p90 -134.17 159.88 39.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -124.33 153.75 41.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -144.03 145.07 31.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.571 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 19.0 p90 -150.1 159.66 44.24 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.88 ' CZ2' HG21 ' A' ' 35' ' ' ILE . 14.8 p90 -160.28 134.28 7.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 108.013 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.0 p -86.19 149.11 25.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -161.94 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -50.3 -62.84 1.35 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 109.594 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -138.02 53.07 1.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.44 -172.37 34.5 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.565 1.166 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.3 m -149.06 123.56 9.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 110.412 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.88 HG21 ' CZ2' ' A' ' 28' ' ' TRP . 40.3 mm -99.53 140.54 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.568 HD13 ' HB2' ' A' ' 27' ' ' TRP . 4.4 mm -127.4 149.87 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' OE1' ' CB ' ' A' ' 7' ' ' GLN . 41.6 tp10 -159.31 139.34 11.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 110.248 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 1.052 ' NH2' ' O ' ' A' ' 61' ' ' ASN . 2.1 mpt_? -130.52 157.78 41.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -170.05 -179.96 41.96 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.443 1.09 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 1.174 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 54.8 m -96.92 172.97 7.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.81 -157.19 33.8 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 54.0 t -160.34 85.29 1.98 Allowed Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.546 ' HD3' ' CE1' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -75.01 177.73 8.2 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.525 1.803 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.1 123.12 29.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.6 p -79.47 112.57 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -84.15 162.65 51.08 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.399 1.062 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 134.86 18.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.428 1.751 . . . . 0.0 111.043 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.15 -31.59 8.19 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 69.9 t -106.79 140.83 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.565 0.803 . . . . 0.0 109.309 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.571 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 31.7 m-80 -90.22 135.96 33.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.221 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.563 HD11 ' CE2' ' A' ' 24' ' ' TYR . 6.5 tt -156.35 138.69 14.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.446 ' N ' HD23 ' A' ' 51' ' ' LEU . 6.7 t-20 -135.89 137.41 41.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.2 m -104.4 143.65 32.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.3 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -149.27 164.08 35.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 108.3 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.449 ' NE ' ' OD1' ' A' ' 22' ' ' ASN . 53.7 mtp180 -122.65 22.87 9.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -107.48 146.62 31.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.399 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.38 139.83 58.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.562 ' HD3' ' CE1' ' A' ' 4' ' ' HIS . 4.5 mtm180 49.87 28.92 3.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.606 1.191 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 56' ' ' THR . 20.9 p -68.6 -30.6 69.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.454 1.096 . . . . 0.0 108.271 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.526 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 15.8 p30 -94.99 84.69 4.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 1.052 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 9.8 p-10 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.513 ' CD2' ' SG ' ' A' ' 23' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 3.1 tt0 -101.46 118.37 36.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.838 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 72.1 m -111.39 156.08 22.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.291 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.779 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 2.9 m-70 -66.2 165.14 14.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.602 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -127.03 -41.9 1.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.241 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.511 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -48.4 150.97 1.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.268 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.485 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 14.2 tm0? -128.36 152.99 47.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m 60.43 -96.93 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -133.86 40.75 3.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.554 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -73.61 178.74 1.42 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.404 1.065 . . . . 0.0 110.255 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.554 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.0 Cg_endo -75.07 174.03 13.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.458 1.767 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 106.65 2.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.2 p -138.73 138.78 37.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.438 ' OG1' ' NH2' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -132.62 168.05 18.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.376 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -164.32 158.99 19.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 m -93.54 128.3 39.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.377 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -88.37 160.79 17.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 108.322 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 19' ' ' GLY . 61.8 p -103.09 147.75 26.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 18' ' ' SER . . . 34.85 49.96 0.77 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.462 ' OE2' ' N ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -160.63 143.16 12.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 0.78 . . . . 0.0 110.275 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.465 ' C ' ' ND2' ' A' ' 22' ' ' ASN . 2.0 t -140.56 44.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.43 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.465 ' ND2' ' C ' ' A' ' 21' ' ' THR . 4.0 m-80 -150.52 151.42 32.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.513 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 4.0 m -142.48 143.59 32.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 108.382 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.555 ' CZ ' ' HG3' ' A' ' 43' ' ' PRO . 19.0 p90 -133.56 160.02 38.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.06 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.457 ' NZ ' ' O ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -125.6 146.78 49.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -141.44 138.22 32.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.375 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 22.6 p90 -150.68 159.65 44.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 107.956 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.783 ' CH2' HG21 ' A' ' 35' ' ' ILE . 9.6 p90 -160.55 129.56 4.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 107.971 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -81.17 140.69 34.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.985 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.436 ' OD2' ' C ' ' A' ' 33' ' ' GLY . 4.1 p30 -105.93 -164.9 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -47.69 -61.03 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 109.593 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -140.15 55.14 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.235 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.436 ' C ' ' OD2' ' A' ' 30' ' ' ASP . . . -169.03 -173.26 36.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.125 . . . . 0.0 111.059 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.7 m -149.85 123.36 9.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 0.798 . . . . 0.0 110.281 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.783 HG21 ' CH2' ' A' ' 28' ' ' TRP . 4.6 mp -100.25 139.4 21.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.553 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.5 mp -131.94 150.84 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.445 ' HG2' ' CG ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -160.56 132.22 5.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.553 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 1.9 mpt_? -126.3 155.02 42.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.28 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.26 -175.62 39.83 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.441 1.088 . . . . 0.0 111.061 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.838 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 82.2 m -92.0 172.36 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.462 ' N ' ' OE2' ' A' ' 20' ' ' GLU . . . 83.03 -162.8 41.01 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 49.7 t -153.26 96.12 2.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.555 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -75.03 175.7 10.9 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.447 1.762 . . . . 0.0 110.978 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -84.56 135.13 34.34 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.702 ' HA ' HD23 ' A' ' 51' ' ' LEU . 34.9 m -79.26 112.57 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -97.53 157.11 35.33 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 143.45 28.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.552 1.817 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.32 -28.73 7.81 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.57 1.169 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 97.0 t -109.32 140.96 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.322 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -88.37 130.33 35.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.702 HD23 ' HA ' ' A' ' 45' ' ' VAL . 42.3 tp -146.45 135.39 22.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -139.79 141.15 36.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.1 m -115.29 147.1 40.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 108.283 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -153.01 160.55 43.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 108.299 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -117.73 20.48 13.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.49 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -101.11 145.46 28.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.417 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -62.63 136.81 58.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.653 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 2.3 ttt180 48.98 30.45 2.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.49 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 20.0 p -70.26 -26.48 63.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 108.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.502 ' HB2' ' CG ' ' A' ' 38' ' ' ARG . 27.2 p30 -94.14 84.4 4.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.837 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 15.8 t30 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.682 HD13 ' HB ' ' A' ' 21' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.691 ' HG3' HG21 ' A' ' 14' ' ' THR . 11.0 pt-20 -107.55 123.43 48.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.123 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 83.2 m -105.65 165.02 11.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 108.221 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.649 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 2.0 m-70 -68.29 167.08 15.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.569 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -131.08 -42.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.323 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.538 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -48.32 150.27 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.429 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -127.15 150.42 49.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 36' ' ' ILE . 1.6 m 64.17 -96.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.018 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.27 37.67 2.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.031 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.547 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -71.15 178.67 1.12 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.547 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -75.02 174.32 12.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 107.44 2.48 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.409 1.742 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 p -140.49 141.1 35.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.691 HG21 ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -134.39 173.28 11.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.383 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.29 145.64 4.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.2 m -71.34 131.18 43.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.452 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.9 m -92.95 157.16 16.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 108.269 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.422 ' C ' ' N ' ' A' ' 20' ' ' GLU . 68.5 p -69.96 -149.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -46.16 -19.97 0.46 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' A' ' 22' ' ' ASN . 2.1 tm-20 -76.41 118.73 19.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 0.736 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.682 ' HB ' HD13 ' A' ' 1' ' ' LEU . 53.6 p -115.3 47.19 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 110.425 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.461 ' N ' ' OE1' ' A' ' 20' ' ' GLU . 1.9 m-80 -144.61 152.52 40.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 1.4 m -140.1 143.67 36.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 108.287 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.532 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 4.1 p90 -137.13 158.01 45.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -121.56 156.49 32.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.933 ' HB3' HD12 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -148.79 139.35 22.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.419 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.5 p90 -150.42 158.36 44.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 107.994 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.628 ' CH2' HG21 ' A' ' 35' ' ' ILE . 13.3 p90 -161.28 132.33 5.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 107.988 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -81.3 138.31 35.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.537 ' OD2' ' CA ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -108.63 -168.58 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.95 -64.67 0.66 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.106 . . . . 0.0 109.636 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.527 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 4.7 ttm180 -136.98 59.57 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.537 ' CA ' ' OD2' ' A' ' 30' ' ' ASP . . . 179.73 -177.86 48.34 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.7 m -145.66 123.24 11.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 110.458 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.628 HG21 ' CH2' ' A' ' 28' ' ' TRP . 49.6 mm -97.11 138.92 20.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.523 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.2 mp -131.25 150.64 34.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.098 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.404 ' HA ' ' OE1' ' A' ' 37' ' ' GLU . 3.1 tp10 -157.07 148.79 22.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.523 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 2.0 mpt_? -141.1 153.4 45.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.31 -172.91 36.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.571 1.169 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 1.123 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.8 OUTLIER -98.71 168.15 10.33 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.31 -160.48 28.17 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.467 1.104 . . . . 0.0 110.989 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.8 t -161.28 87.02 1.66 Allowed Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.532 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -74.93 -179.57 5.09 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.8 . . . . 0.0 111.046 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.25 136.41 34.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.387 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.729 HG12 HD23 ' A' ' 51' ' ' LEU . 25.6 m -78.62 114.95 19.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -92.39 156.52 41.49 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 138.8 23.44 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.584 1.834 . . . . 0.0 111.046 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.59 -29.42 9.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.1 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.7 t -107.32 137.51 38.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -90.92 135.07 33.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.933 HD12 ' HB3' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -150.45 139.54 21.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -135.19 136.19 41.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.3 m -107.93 143.39 36.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 108.228 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -153.02 161.98 41.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 108.331 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -120.62 22.79 11.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.481 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -103.31 148.12 26.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 110.397 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.03 137.28 58.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.649 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 6.5 mtm180 47.29 30.56 1.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.481 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 18.2 p -69.52 -26.43 64.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 108.331 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.489 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 26.3 p-10 -95.49 82.64 3.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.783 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 11.1 p30 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.469 HD23 ' SG ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 4.8 tt0 -95.45 122.75 38.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.469 ' SG ' HD23 ' A' ' 1' ' ' LEU . 93.5 m -129.51 167.72 17.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 108.261 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.651 ' CE1' ' CD ' ' A' ' 58' ' ' ARG . 89.5 m-70 -71.71 157.87 37.16 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.548 1.155 . . . . 0.0 109.647 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.526 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 0.6 OUTLIER -123.63 -37.62 2.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.51 ' CB ' ' HB3' ' A' ' 10' ' ' GLN . 1.1 pt20 -37.52 146.45 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.555 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 2.0 tt0 -124.97 151.56 45.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.453 ' CA ' ' HB ' ' A' ' 36' ' ' ILE . 1.5 m 64.88 -95.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.4 m -135.7 33.18 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.985 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.555 ' NE2' ' O ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -64.83 177.52 0.59 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 110.296 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.509 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -74.99 171.97 17.28 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.448 1.762 . . . . 0.0 110.943 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 86.53 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.397 1.735 . . . . 0.0 111.035 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.526 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 1.6 p -115.48 141.5 47.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.414 HG21 ' HG3' ' A' ' 58' ' ' ARG . 1.1 m -129.68 169.62 14.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -166.86 161.89 15.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.4 m -84.35 143.93 29.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.426 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 19.3 m -97.53 -179.97 4.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 108.307 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.412 ' C ' ' N ' ' A' ' 20' ' ' GLU . 3.4 m -96.69 -149.62 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 110.011 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -49.24 -18.88 1.48 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 22' ' ' ASN . 2.0 tm-20 -77.48 123.7 26.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.751 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 t -111.29 38.81 2.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.356 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.552 ' ND2' ' HG2' ' A' ' 55' ' ' ARG . 8.1 m120 -143.56 154.6 43.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.427 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 1.8 m -149.53 146.33 27.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 108.314 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.552 ' CD2' HD21 ' A' ' 51' ' ' LEU . 24.1 p90 -135.68 160.36 38.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.443 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -126.68 137.52 53.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -131.39 142.49 50.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.551 ' HB2' HD13 ' A' ' 36' ' ' ILE . 16.4 p90 -150.14 159.74 44.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 107.981 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.737 ' CH2' HG21 ' A' ' 35' ' ' ILE . 11.7 p90 -160.43 133.95 6.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.2 p -86.09 142.28 28.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.008 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.53 -163.97 0.94 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -52.22 -64.36 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.573 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -133.85 51.9 2.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.14 -171.47 34.89 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.499 HG22 HD11 ' A' ' 36' ' ' ILE . 7.5 m -155.46 121.76 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 110.43 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.737 HG21 ' CH2' ' A' ' 28' ' ' TRP . 46.9 mm -96.62 141.47 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.586 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 4.0 mm -128.82 153.24 38.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -159.51 143.5 14.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.285 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.664 ' NE ' ' O ' ' A' ' 61' ' ' ASN . 1.6 mpt_? -148.75 156.82 42.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.584 1.178 . . . . 0.0 110.296 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.59 -177.67 48.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -80.75 -178.92 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.39 -171.71 55.15 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -160.59 86.07 1.87 Allowed Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -178.13 3.96 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.792 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.14 135.16 35.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.6 m -79.03 113.51 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.34 154.28 48.85 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 137.33 21.49 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.92 -28.82 12.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.577 1.173 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 38.8 t -114.4 146.4 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.433 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 9.0 m-20 -92.81 135.97 33.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.552 HD21 ' CD2' ' A' ' 24' ' ' TYR . 1.3 tt -148.29 146.62 28.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -141.74 133.24 26.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.241 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.54 142.97 43.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 0.0 108.346 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -158.79 161.58 36.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 108.324 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.552 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 59.7 mtp180 -117.8 23.22 11.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.447 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -101.8 147.47 26.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.428 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.25 139.02 58.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.651 ' CD ' ' CE1' ' A' ' 4' ' ' HIS . 10.8 mtm180 48.59 29.31 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.447 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 13.8 p -78.55 -25.42 45.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 108.263 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.428 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 46.4 p-10 -96.51 80.53 3.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.399 1.062 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 1.168 ' OXT' ' ND2' ' A' ' 61' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.481 ' CD2' ' SG ' ' A' ' 23' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.733 ' HG3' HG21 ' A' ' 14' ' ' THR . 5.0 pt-20 -104.81 121.63 44.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.523 ' O ' HG22 ' A' ' 14' ' ' THR . 84.6 m -107.05 156.96 18.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 108.247 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.744 ' CD2' ' HB3' ' A' ' 61' ' ' ASN . 1.2 m-70 -69.17 162.28 27.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.559 1.162 . . . . 0.0 109.571 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -129.64 -43.93 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 11' ' ' PRO . 0.5 OUTLIER -49.96 152.71 1.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.416 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 1.5 pp0? -140.57 159.59 41.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.069 . . . . 0.0 110.309 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.517 ' O ' HD13 ' A' ' 36' ' ' ILE . 2.9 m 64.31 -93.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.599 1.187 . . . . 0.0 109.969 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.4 p -141.08 38.14 1.76 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.445 1.091 . . . . 0.0 109.99 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.442 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -75.98 174.81 4.98 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -75.01 173.56 14.3 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.433 1.754 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 105.73 2.14 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.0 p -138.3 138.16 38.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.591 1.182 . . . . 0.0 110.416 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.733 HG21 ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -135.16 166.97 21.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 110.444 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 8.0 tttt -155.71 158.74 38.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.235 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 m -85.63 131.85 34.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.445 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.0 m -96.77 151.52 19.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.339 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.3 p -117.98 138.19 52.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.981 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.28 -48.74 3.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.49 ' OE1' ' O ' ' A' ' 22' ' ' ASN . 1.0 OUTLIER -85.26 154.2 22.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.528 0.781 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.5 t -140.04 39.67 1.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.429 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.536 ' ND2' ' HG2' ' A' ' 55' ' ' ARG . 7.8 m120 -149.69 151.09 33.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.497 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 3.7 m -135.36 143.06 45.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 108.298 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.554 ' CE2' ' HD3' ' A' ' 43' ' ' PRO . 14.0 p90 -138.99 157.53 45.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.402 1.064 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -122.93 149.79 43.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -143.33 139.69 30.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 15.6 p90 -150.12 158.1 43.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.463 ' CZ2' HG21 ' A' ' 35' ' ' ILE . 11.3 p90 -161.52 132.65 5.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.032 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -87.81 134.71 33.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.943 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 33' ' ' GLY . 0.6 OUTLIER -100.17 -166.62 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.594 1.184 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -45.86 -66.78 0.35 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.554 1.159 . . . . 0.0 109.513 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.545 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -133.04 56.04 1.87 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.547 1.154 . . . . 0.0 110.274 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.534 ' N ' ' OD1' ' A' ' 30' ' ' ASP . . . -172.39 -172.88 38.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 m -154.82 119.32 4.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 0.734 . . . . 0.0 110.427 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.463 HG21 ' CZ2' ' A' ' 28' ' ' TRP . 30.6 mm -99.85 136.63 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.656 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.7 mp -130.65 150.67 34.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.45 1.094 . . . . 0.0 109.385 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.48 143.09 17.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.656 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 2.1 mpt_? -138.15 158.25 44.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.157 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.65 -175.48 47.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.434 1.084 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 18.7 m -88.61 167.63 13.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.73 -162.8 23.35 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.2 t -161.16 90.38 1.56 Allowed Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.554 ' HD3' ' CE2' ' A' ' 24' ' ' TYR . 18.5 Cg_endo -74.93 176.55 9.74 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.603 1.843 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.93 133.31 34.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.528 ' CA ' HD23 ' A' ' 51' ' ' LEU . 6.5 p -79.3 108.55 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.7 158.87 50.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 126.96 10.34 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.49 1.784 . . . . 0.0 111.061 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.64 -33.01 6.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 64.2 t -102.72 136.86 33.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 0.773 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -89.02 132.81 34.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.528 HD23 ' CA ' ' A' ' 45' ' ' VAL . 4.9 tp -150.32 138.69 20.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -139.62 137.12 35.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 86.4 m -110.88 144.4 39.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 108.32 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.81 161.69 42.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 108.286 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.536 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 1.7 mtt180 -114.08 21.07 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.361 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.496 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -100.01 146.34 26.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.172 . . . . 0.0 110.376 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.58 135.48 57.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.644 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 3.2 ttm180 48.68 30.87 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.496 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 15.1 p -72.05 -22.02 61.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 108.323 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.497 ' ND2' ' HB3' ' A' ' 23' ' ' CYS . 8.8 p30 -91.69 85.98 5.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.744 ' HB3' ' CD2' ' A' ' 4' ' ' HIS . 19.3 p-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.508 HD13 ' HB ' ' A' ' 21' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.6 ' HG2' HG22 ' A' ' 14' ' ' THR . 7.6 tt0 -105.9 112.7 25.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.173 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 86.3 m -106.78 152.52 23.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 108.269 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.584 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 12.6 m-70 -68.47 157.61 35.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.625 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.521 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 1.8 p30 -123.92 -37.77 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.526 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -33.75 144.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.314 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.557 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 1.2 tm0? -122.95 144.76 49.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.354 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 36' ' ' ILE . 1.6 m 64.52 -95.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 110.044 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.5 p -134.6 33.18 3.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.985 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.557 ' NE2' ' O ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -62.98 179.13 0.32 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.526 ' O ' ' HB3' ' A' ' 6' ' ' GLN . 18.1 Cg_endo -74.97 174.35 12.93 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.483 1.781 . . . . 0.0 111.058 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 85.04 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.521 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 1.9 p -114.43 141.2 47.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.447 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.6 HG22 ' HG2' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -131.55 168.26 17.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.25 145.07 9.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.7 m -77.4 128.45 34.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.449 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.5 m -90.63 167.9 12.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 0.0 108.202 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 p -129.38 137.83 51.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.027 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.65 -50.09 2.11 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' OE1' ' N ' ' A' ' 21' ' ' THR . 6.8 tp10 -87.12 139.34 30.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 0.79 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.508 ' HB ' HD13 ' A' ' 1' ' ' LEU . 65.5 p -127.43 42.96 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.378 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.462 ' ND2' ' C ' ' A' ' 21' ' ' THR . 2.2 m-80 -146.21 160.36 42.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.216 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.507 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 1.1 m -140.15 143.09 35.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 108.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.576 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 30.4 p90 -138.06 159.38 42.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.529 ' CD ' ' HA ' ' A' ' 60' ' ' ASN . 2.5 mttp -114.63 146.44 40.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -143.26 128.14 18.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.532 ' CE2' ' HB3' ' A' ' 50' ' ' ASN . 17.6 p90 -150.76 162.01 41.55 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.438 ' HB3' HG13 ' A' ' 49' ' ' VAL . 19.1 p90 -157.37 131.25 8.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 107.992 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.5 p -81.9 134.24 35.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.983 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.422 ' OD2' ' HA3' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -101.3 -169.6 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 109.194 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -46.31 -62.86 1.17 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.388 1.055 . . . . 0.0 109.568 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.544 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -135.62 54.3 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.422 ' HA3' ' OD2' ' A' ' 30' ' ' ASP . . . -171.22 -179.13 42.16 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.597 1.185 . . . . 0.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.8 m -150.24 121.71 7.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 0.725 . . . . 0.0 110.42 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.8 mt -99.87 132.62 45.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.347 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.585 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 1.8 mp -125.84 152.31 32.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -160.85 154.56 22.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.585 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 1.9 mpt_? -140.61 154.95 46.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.39 -175.65 38.74 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 1.173 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.3 m -97.49 156.49 16.47 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.15 -159.78 19.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.6 t -158.91 96.75 1.72 Allowed Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.581 ' HG2' HD11 ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.98 179.58 5.95 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.46 1.769 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.72 131.85 34.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.245 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.472 ' O ' HG23 ' A' ' 45' ' ' VAL . 30.5 m -79.5 112.56 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.43 152.58 37.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 131.35 14.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.566 1.824 . . . . 0.0 110.978 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.32 -35.01 5.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.438 HG13 ' HB3' ' A' ' 28' ' ' TRP . 96.4 t -104.67 144.02 15.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.532 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 74.9 m-20 -89.81 136.4 33.06 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.581 HD11 ' HG2' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -155.52 141.71 18.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 24' ' ' TYR . 18.5 t-20 -137.67 141.63 41.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 54.2 m -116.67 144.95 43.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 108.318 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -153.44 161.14 42.57 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 0.0 108.279 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -118.57 19.76 13.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.477 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -103.87 146.06 29.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.407 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -63.62 141.52 58.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.584 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 33.8 mtp180 48.45 24.27 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.23 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.477 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 19.7 p -69.47 -24.97 63.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.608 1.193 . . . . 0.0 108.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.535 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 18.3 p-10 -94.05 81.73 4.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 1.302 ' OXT' ' ND2' ' A' ' 61' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.51 ' CD2' ' SG ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -98.4 112.13 24.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.647 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 75.3 m -110.84 162.74 14.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 108.277 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.55 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 0.8 OUTLIER -68.63 164.44 21.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.628 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -127.34 -45.54 1.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.572 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -38.76 145.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 110.191 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.416 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -120.19 153.12 36.72 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m 58.14 -96.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 110.012 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 p -133.5 43.09 2.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.005 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.547 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 1.0 OUTLIER -74.78 178.37 1.78 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.572 ' O ' ' HB3' ' A' ' 6' ' ' GLN . 18.5 Cg_endo -74.91 174.5 12.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.544 1.812 . . . . 0.0 111.039 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 105.01 2.0 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.559 1.82 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 p -140.02 141.77 36.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -130.56 173.97 10.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.423 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.62 147.2 6.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 m -84.07 127.96 34.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.403 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.7 m -91.52 158.25 16.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 108.269 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.8 p -108.81 153.41 23.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.939 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 39.75 29.94 0.19 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -152.0 127.83 10.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.2 t -127.24 47.77 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.384 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -143.11 160.86 39.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.51 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 79.5 m -134.7 139.47 45.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 108.314 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.56 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 2.2 p90 -139.12 160.02 40.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.528 ' CE ' ' O ' ' A' ' 59' ' ' CYS . 1.0 OUTLIER -134.08 141.7 47.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.488 ' HB3' HD23 ' A' ' 51' ' ' LEU . 3.6 ptmt -142.62 128.71 19.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.1 p90 -146.83 162.4 38.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 108.037 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 7.6 p90 -159.37 133.35 7.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -84.37 144.21 28.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.962 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 33' ' ' GLY . 2.1 p30 -109.85 -167.77 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -44.93 -67.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.644 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.524 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -133.23 56.5 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.497 ' N ' ' OD1' ' A' ' 30' ' ' ASP . . . -170.04 -174.06 37.93 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.2 m -156.4 118.94 4.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 0.772 . . . . 0.0 110.399 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.3 mm -101.02 132.3 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.248 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.7 mp -119.34 150.79 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.262 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.412 ' HA ' ' OE1' ' A' ' 37' ' ' GLU . 5.7 tp10 -149.42 153.77 37.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 1.028 ' NH2' ' HA ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -144.39 164.0 32.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 179.39 -171.36 43.17 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.461 1.1 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.647 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 43.1 m -107.97 155.18 20.62 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.58 -160.73 18.92 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.456 1.097 . . . . 0.0 111.037 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.8 t -150.24 92.12 4.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 177.87 8.03 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.496 1.787 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -84.07 132.96 34.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.145 . . . . 0.0 109.246 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.625 ' HB ' HD12 ' A' ' 51' ' ' LEU . 2.7 p -79.39 113.37 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.95 153.39 39.9 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 136.78 20.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.451 1.763 . . . . 0.0 111.047 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.67 -21.96 43.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.556 1.16 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 86.6 t -116.66 142.29 31.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.437 0.728 . . . . 0.0 109.299 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.48 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -86.39 132.35 33.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.639 HD22 ' N ' ' A' ' 52' ' ' ASN . 2.1 tm? -147.58 132.34 17.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.222 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.639 ' N ' HD22 ' A' ' 51' ' ' LEU . 37.6 t-20 -133.27 146.88 51.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.243 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 64.1 m -117.83 144.66 45.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.105 . . . . 0.0 108.373 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.8 p -158.12 165.01 36.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.565 1.166 . . . . 0.0 108.358 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -124.46 25.51 7.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 0.9 OUTLIER -104.09 145.3 30.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.486 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.3 136.15 51.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.55 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER 58.98 19.38 7.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.254 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.528 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 1.4 p -69.74 -10.41 58.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 108.226 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.512 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -90.33 82.15 5.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 1.028 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 35.0 p-10 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.476 ' HG3' ' CG2' ' A' ' 14' ' ' THR . 1.8 pt-20 -100.43 130.18 46.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.416 ' SG ' ' OD1' ' A' ' 60' ' ' ASN . 1.7 m -128.57 167.96 16.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 108.357 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.637 ' CD2' ' CG ' ' A' ' 58' ' ' ARG . 27.7 m-70 -71.63 154.3 41.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.074 . . . . 0.0 109.524 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.516 ' OD1' ' OG1' ' A' ' 13' ' ' THR . 1.9 p30 -119.64 -35.17 3.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.51 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 0.9 OUTLIER -45.71 150.49 0.51 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.423 1.077 . . . . 0.0 110.235 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -130.4 157.21 43.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.26 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.515 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.7 m 60.62 -97.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.2 m -134.64 40.08 2.98 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.495 ' HB3' ' CB ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -73.18 176.89 2.25 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.488 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -75.1 171.11 18.95 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.506 1.793 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.51 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 18.4 Cg_endo -74.99 99.25 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.449 1.763 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.516 ' OG1' ' OD1' ' A' ' 5' ' ' ASN . 1.6 p -130.28 140.72 50.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.4 1.063 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.476 ' CG2' ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -136.96 164.19 28.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 110.42 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 4.7 pttp -163.03 153.37 16.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 m -86.8 124.37 32.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 55.8 m -86.73 150.03 24.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 108.283 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.94 146.35 45.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 0.0 109.963 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.06 -50.2 4.13 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.456 ' OE2' ' N ' ' A' ' 21' ' ' THR . 6.9 tp10 -91.44 133.29 35.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 0.725 . . . . 0.0 110.298 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.456 ' N ' ' OE2' ' A' ' 20' ' ' GLU . 72.6 p -116.33 44.01 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.375 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.403 ' ND2' ' C ' ' A' ' 21' ' ' THR . 4.9 m-80 -148.69 169.43 20.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 87.5 m -148.03 146.42 28.88 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.495 1.122 . . . . 0.0 108.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.591 ' CG ' ' CD ' ' A' ' 43' ' ' PRO . 18.5 p90 -140.59 155.28 46.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.78 143.09 49.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.506 ' HB3' HD23 ' A' ' 51' ' ' LEU . 6.0 ptmt -138.93 141.87 38.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 16.2 p90 -150.55 159.79 44.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.168 . . . . 0.0 107.993 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.928 ' CZ2' HG21 ' A' ' 35' ' ' ILE . 11.3 p90 -159.33 138.26 11.02 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 p -91.81 137.57 32.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.969 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.44 ' OD2' ' C ' ' A' ' 33' ' ' GLY . 4.0 p30 -97.62 -167.22 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -47.71 -62.79 1.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.578 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -135.23 54.36 1.93 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.477 1.111 . . . . 0.0 110.363 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.44 ' C ' ' OD2' ' A' ' 30' ' ' ASP . . . -167.85 -179.66 40.62 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.456 1.098 . . . . 0.0 110.993 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.0 m -140.89 119.41 12.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 0.72 . . . . 0.0 110.423 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.928 HG21 ' CZ2' ' A' ' 28' ' ' TRP . 4.6 mp -96.67 141.5 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 8' ' ' SER . 77.4 mt -126.17 150.8 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 38' ' ' ARG . 3.2 tp10 -154.65 144.2 21.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.517 ' HG2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -141.17 165.06 28.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.42 -175.47 47.44 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 4.6 m -105.44 155.28 19.29 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.41 -159.53 19.24 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 49.7 t -147.74 89.3 5.39 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.591 ' CD ' ' CG ' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -75.02 173.31 14.74 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.436 1.756 . . . . 0.0 110.999 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -84.61 137.62 33.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.162 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.405 HG12 ' H ' ' A' ' 45' ' ' VAL . 3.0 p -79.3 112.61 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.205 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -86.87 156.76 55.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 124.84 8.92 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.62 -37.95 3.57 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.453 1.096 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 69.4 t -98.48 139.79 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.36 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.8 OUTLIER -84.15 132.41 34.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.531 ' C ' HD13 ' A' ' 51' ' ' LEU . 3.3 tm? -141.23 132.9 27.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.438 ' N ' HD13 ' A' ' 51' ' ' LEU . 5.7 t-20 -134.9 140.41 45.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 61.2 m -110.19 145.48 37.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 108.354 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' CYS . 1.5 p -158.63 160.37 36.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 108.352 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -124.84 24.25 7.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.501 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 1.2 p -101.26 147.63 26.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.601 1.188 . . . . 0.0 110.381 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.81 130.42 43.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.637 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 9.8 ttp-105 62.41 29.59 17.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.363 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.501 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.5 p -73.44 -6.58 47.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 108.268 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.517 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -93.52 82.97 4.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.689 ' OXT' ' CG ' ' A' ' 61' ' ' ASN . 24.7 p-10 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.453 ' CD2' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.516 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 5.4 tt0 -97.97 119.2 36.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.453 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 71.9 m -121.18 161.03 22.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 108.258 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.622 ' CE1' ' HD3' ' A' ' 58' ' ' ARG . 72.6 m-70 -70.72 153.97 42.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.627 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.513 ' OD1' ' OG1' ' A' ' 13' ' ' THR . 3.2 p30 -122.62 -35.4 3.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.409 1.068 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.517 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 1.8 pt20 -47.52 152.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 110.238 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.417 ' CG ' ' OE1' ' A' ' 37' ' ' GLU . 25.7 mt-30 -137.01 157.67 46.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.469 ' CA ' ' HB ' ' A' ' 36' ' ' ILE . 1.6 m 65.07 -96.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.946 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.8 p -137.06 33.95 2.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.034 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.472 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.2 mt-30 -69.42 175.55 2.12 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -75.03 171.38 18.44 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.422 1.749 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.517 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 18.0 Cg_endo -75.05 91.18 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.801 . . . . 0.0 110.949 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.513 ' OG1' ' OD1' ' A' ' 5' ' ' ASN . 1.6 p -120.35 140.75 50.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.405 HG21 ' HG3' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -128.69 166.91 18.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.443 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -156.31 155.37 32.15 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.7 m -93.86 126.48 39.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.1 m -98.25 151.26 20.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 108.281 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -126.61 144.44 50.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.454 1.096 . . . . 0.0 110.006 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.63 -41.01 3.07 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.448 ' OE2' ' ND2' ' A' ' 22' ' ' ASN . 6.3 tp10 -110.84 126.64 54.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 0.736 . . . . 0.0 110.269 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.464 ' C ' ' ND2' ' A' ' 22' ' ' ASN . 68.6 p -106.35 41.17 1.47 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.398 1.061 . . . . 0.0 110.43 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.464 ' ND2' ' C ' ' A' ' 21' ' ' THR . 3.4 m-80 -149.7 161.55 41.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.07 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 41.9 m -150.59 156.21 40.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.392 1.057 . . . . 0.0 108.312 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.582 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 26.5 p90 -140.27 161.14 38.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 0.0 111.041 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -127.66 153.47 46.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 2.4 ptpt -150.38 142.14 23.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.64 ' HB2' HD13 ' A' ' 36' ' ' ILE . 20.3 p90 -150.72 159.72 44.33 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.675 ' CZ2' HG21 ' A' ' 35' ' ' ILE . 15.5 p90 -160.15 132.8 6.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.057 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.8 p -84.66 152.85 23.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 110.006 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 32' ' ' ARG . 2.3 p30 -115.35 -161.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.06 -66.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.569 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.536 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 5.8 ttt180 -135.04 54.3 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.213 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.404 ' N ' ' OD1' ' A' ' 30' ' ' ASP . . . -166.25 -175.65 36.77 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.2 m -145.73 122.19 11.02 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.482 0.754 . . . . 0.0 110.389 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.675 HG21 ' CZ2' ' A' ' 28' ' ' TRP . 46.7 mm -99.19 140.73 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.64 HD13 ' HB2' ' A' ' 27' ' ' TRP . 8.7 mm -127.76 150.8 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 109.354 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.417 ' OE1' ' CG ' ' A' ' 7' ' ' GLN . 49.9 tp10 -157.29 140.72 15.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.349 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.631 ' CZ ' ' HA ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -141.09 160.54 39.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.87 -176.59 43.31 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 2.2 m -98.9 154.78 17.79 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.47 -165.82 19.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.556 1.16 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 50.3 t -151.44 87.69 4.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.582 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.2 Cg_endo -75.02 -178.95 4.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.575 1.829 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.73 125.62 31.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.841 HG23 ' HB3' ' A' ' 51' ' ' LEU . 14.4 p -78.37 113.46 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.375 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.26 153.59 46.57 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 137.59 21.79 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.433 1.754 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.04 -30.29 9.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.48 HG13 ' HB3' ' A' ' 28' ' ' TRP . 51.1 t -111.26 146.51 16.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.536 0.786 . . . . 0.0 109.34 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.463 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 76.8 m-20 -87.49 132.02 34.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.362 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.841 ' HB3' HG23 ' A' ' 45' ' ' VAL . 6.4 tt -153.03 138.37 17.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 0.0 109.392 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.691 ' N ' HD23 ' A' ' 51' ' ' LEU . 35.2 t-20 -137.49 139.32 40.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 21.8 m -109.4 143.77 38.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 108.279 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 p -156.74 163.91 38.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 108.246 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.1 mtt180 -121.81 17.63 11.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.438 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -99.71 148.97 23.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 2.3 m-20 -63.4 141.57 58.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.622 ' HD3' ' CE1' ' A' ' 4' ' ' HIS . 0.7 OUTLIER 48.02 24.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.362 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.438 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 15.5 p -72.11 -27.22 62.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 108.315 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.448 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 35.9 p30 -94.99 84.39 4.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 1.084 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 10.7 p30 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.834 HD13 ' CA ' ' A' ' 21' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.515 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 12.8 pt-20 -101.58 118.7 37.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.459 ' C ' ' CG2' ' A' ' 14' ' ' THR . 64.9 m -103.97 153.07 21.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 108.328 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.572 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 7.9 m-70 -68.24 153.9 42.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.686 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.552 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 0.6 OUTLIER -121.88 -40.7 2.5 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.466 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -38.76 146.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.298 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.498 ' CG ' ' HG2' ' A' ' 37' ' ' GLU . 10.6 tm0? -121.95 148.77 44.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.357 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.557 ' N ' ' O ' ' A' ' 36' ' ' ILE . 1.8 m 63.55 -97.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.016 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.98 33.31 3.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.557 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 1.0 OUTLIER -63.01 178.94 0.33 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.406 1.066 . . . . 0.0 110.327 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.557 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -74.97 172.33 16.58 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.553 1.818 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 104.61 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.554 1.818 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.552 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 1.4 p -138.74 142.87 38.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.418 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.459 ' CG2' ' C ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -138.94 169.93 16.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.422 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -161.27 142.22 11.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m -67.3 130.78 44.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.602 1.189 . . . . 0.0 110.388 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.1 m -95.33 173.22 7.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 108.302 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' GLU . 73.4 p -60.25 -157.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.051 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.3 57.41 0.44 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.471 1.107 . . . . 0.0 111.07 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.439 ' HG2' ' N ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -139.48 139.6 37.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.293 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.834 ' CA ' HD13 ' A' ' 1' ' ' LEU . 22.4 p -121.3 52.79 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.472 ' ND2' ' C ' ' A' ' 21' ' ' THR . 4.4 m-80 -152.74 156.9 40.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.484 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 8.9 m -144.92 155.39 43.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 108.294 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.613 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 4.7 p90 -133.98 160.47 37.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.511 ' O ' HD12 ' A' ' 51' ' ' LEU . 5.6 mttp -123.4 155.15 37.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 12.4 ptpt -148.56 131.86 16.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.548 ' CE2' ' HB3' ' A' ' 50' ' ' ASN . 34.3 p90 -150.57 161.11 43.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 107.976 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.674 ' CH2' HG21 ' A' ' 35' ' ' ILE . 15.8 p90 -159.78 141.09 12.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 108.0 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 76.1 p -91.15 146.89 23.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.411 ' OD2' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -115.86 -170.79 1.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 109.295 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.42 -61.14 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.639 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.75 55.61 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.411 ' HA3' ' OD2' ' A' ' 30' ' ' ASP . . . -174.74 -176.84 43.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 m -153.89 122.29 6.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.802 . . . . 0.0 110.361 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.674 HG21 ' CH2' ' A' ' 28' ' ' TRP . 3.8 mp -98.49 135.21 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.557 ' O ' ' N ' ' A' ' 8' ' ' SER . 2.0 mt -126.16 151.14 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.498 ' HG2' ' CG ' ' A' ' 7' ' ' GLN . 9.2 tm-20 -162.53 147.77 12.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.812 ' NH2' ' O ' ' A' ' 61' ' ' ASN . 2.0 mpt_? -120.11 170.89 8.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.474 ' HA3' ' CZ ' ' A' ' 24' ' ' TYR . . . -169.68 -179.92 41.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -108.71 149.92 28.31 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.71 -162.28 21.3 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.1 t -147.35 89.83 5.41 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.613 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -74.96 -179.97 5.5 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.418 1.746 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -83.82 140.18 32.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.471 ' O ' HG23 ' A' ' 45' ' ' VAL . 26.2 m -78.65 113.96 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.35 151.75 38.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.42 34.01 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.469 1.773 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.8 -7.5 62.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 110.947 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.1 t -129.72 140.02 50.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.548 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 1.5 m120 -88.54 130.32 35.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.511 HD12 ' O ' ' A' ' 25' ' ' LYS . 18.4 tp -137.96 138.8 39.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.457 ' CG ' ' NZ ' ' A' ' 25' ' ' LYS . 14.0 t-20 -129.44 146.75 51.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.2 m -128.99 140.75 51.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.256 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -153.45 162.58 41.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 108.262 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -121.11 19.86 11.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.431 ' O ' ' SG ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -107.56 145.28 33.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.382 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -64.0 143.06 58.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.572 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 0.1 OUTLIER 48.49 25.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 56' ' ' THR . 29.7 p -68.24 -28.76 67.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 108.309 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.556 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 15.3 p30 -89.53 89.23 7.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.364 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.812 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 13.7 t30 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.225 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.785 HD13 ' CA ' ' A' ' 21' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.662 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 13.6 pt-20 -96.27 120.7 37.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.61 1.194 . . . . 0.0 110.301 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.184 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 72.2 m -106.91 162.23 14.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 108.294 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.597 ' CD2' ' HG3' ' A' ' 58' ' ' ARG . 1.0 OUTLIER -67.5 160.57 27.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.601 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -130.31 -46.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.567 ' NE2' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -39.33 148.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.453 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 8.7 tm0? -127.03 151.15 48.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.353 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m 62.46 -96.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 p -135.78 39.12 2.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.953 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.538 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.3 OUTLIER -71.95 177.61 1.64 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.567 ' O ' ' NE2' ' A' ' 6' ' ' GLN . 18.2 Cg_endo -74.89 174.6 12.47 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.504 1.792 . . . . 0.0 110.963 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 106.58 2.3 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.566 1.824 . . . . 0.0 110.99 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.2 p -141.42 139.93 33.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.643 HG21 ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -129.5 174.75 9.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.439 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.12 140.44 7.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 22.0 m -75.71 133.38 40.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.395 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.8 m -97.88 156.0 16.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 108.247 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 19' ' ' GLY . 3.7 t -103.59 150.48 23.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' SER . . . 34.84 42.9 0.37 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' A' ' 41' ' ' GLY . 1.0 OUTLIER -161.4 140.8 10.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 110.313 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.785 ' CA ' HD13 ' A' ' 1' ' ' LEU . 23.2 p -137.98 47.81 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.502 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.525 ' ND2' ' HG2' ' A' ' 55' ' ' ARG . 8.8 m120 -149.83 152.95 35.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.5 m -145.93 150.74 36.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 108.311 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.599 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 15.9 p90 -139.89 156.28 46.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.447 1.092 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HD2' ' H ' ' A' ' 61' ' ' ASN . 1.7 pttm -128.01 143.69 51.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 10.7 ptmt -139.6 148.05 41.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.403 1.064 . . . . 0.0 109.369 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.46 ' HB2' HD13 ' A' ' 36' ' ' ILE . 17.1 p90 -150.46 159.18 44.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 108.01 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 7.7 p90 -160.89 131.26 5.18 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.0 p -82.89 149.95 26.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.449 ' OD1' ' C ' ' A' ' 33' ' ' GLY . 4.9 p-10 -113.18 -163.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -47.52 -61.6 1.84 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.594 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.35 57.27 1.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.349 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.449 ' C ' ' OD1' ' A' ' 30' ' ' ASP . . . -172.03 -173.16 38.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.452 HG22 HD11 ' A' ' 36' ' ' ILE . 3.0 m -149.35 119.88 7.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 0.741 . . . . 0.0 110.442 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.41 ' O ' HD13 ' A' ' 36' ' ' ILE . 4.1 mt -99.81 141.13 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.46 HD13 ' HB2' ' A' ' 27' ' ' TRP . 4.9 mm -124.02 151.56 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.407 ' OE2' ' O ' ' A' ' 38' ' ' ARG . 30.5 tp10 -153.44 141.44 20.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 110.238 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -140.83 162.49 35.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.351 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -178.8 -178.0 47.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 1.184 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.9 OUTLIER -94.76 171.7 8.62 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.506 ' N ' ' OE1' ' A' ' 20' ' ' GLU . . . 81.75 -160.5 41.29 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.436 1.085 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.4 t -153.74 90.27 3.37 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.599 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -74.94 178.89 6.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.559 1.82 . . . . 0.0 111.041 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.93 127.55 33.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.732 HG23 ' HB3' ' A' ' 51' ' ' LEU . 10.0 p -78.92 114.88 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.383 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -91.57 157.46 41.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.578 1.174 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 135.28 18.73 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.472 1.775 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.8 -29.52 11.19 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.475 1.109 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 74.6 t -110.67 141.56 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.431 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 81.5 m-20 -88.66 131.1 35.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.732 ' HB3' HG23 ' A' ' 45' ' ' VAL . 8.2 tp -150.65 131.3 13.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.565 ' N ' HD12 ' A' ' 51' ' ' LEU . 5.9 t-20 -129.77 133.85 47.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.8 m -106.09 142.31 36.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 108.293 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.95 159.58 44.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 108.3 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.525 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 14.5 mtp180 -108.69 16.25 23.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.262 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.475 ' O ' ' SG ' ' A' ' 59' ' ' CYS . 1.2 p -103.11 143.1 33.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 110.368 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 1.9 m-20 -65.56 145.76 55.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.597 ' HG3' ' CD2' ' A' ' 4' ' ' HIS . 4.9 ttp180 49.15 22.33 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.475 ' SG ' ' O ' ' A' ' 56' ' ' THR . 15.4 p -72.68 -22.18 60.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.491 1.119 . . . . 0.0 108.401 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 7.2 p-10 -89.87 90.75 8.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 1.274 ' OXT' ' ND2' ' A' ' 61' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.521 ' CD2' ' SG ' ' A' ' 23' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.488 ' CB ' ' OD1' ' A' ' 57' ' ' ASP . 1.7 tt0 -94.31 114.3 26.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.259 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 71.9 m -102.52 159.18 15.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.453 1.096 . . . . 0.0 108.34 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.656 ' CD2' ' CG ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -68.94 165.21 20.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.597 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -127.86 -46.62 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.549 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -38.31 144.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.341 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.435 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -120.64 153.78 36.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m 57.41 -95.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 p -135.01 42.53 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.55 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -73.57 178.47 1.54 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.55 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.0 Cg_endo -75.09 175.15 11.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.456 1.767 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 105.21 2.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.518 1.799 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.4 p -141.48 139.39 33.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.378 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 3' ' ' CYS . 0.7 OUTLIER -132.38 170.78 14.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.553 1.158 . . . . 0.0 110.364 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -157.33 156.26 32.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -81.59 137.92 35.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 33.4 m -90.29 167.97 12.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 108.329 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -83.25 -161.61 0.52 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.018 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -38.4 -28.46 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.102 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.516 ' OE2' ' CA ' ' A' ' 41' ' ' GLY . 2.6 tt0 -78.37 133.26 37.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 0.0 110.229 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 21' ' ' THR . 10.1 t -121.05 72.25 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -147.6 160.99 42.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.521 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 99.3 m -141.7 140.16 33.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.534 1.146 . . . . 0.0 108.293 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.58 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 1.7 p90 -140.13 156.63 46.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.777 ' O ' HD12 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -131.03 141.86 50.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -140.35 131.81 26.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.512 ' CE2' ' HB3' ' A' ' 50' ' ' ASN . 23.9 p90 -142.51 159.3 42.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 107.992 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.5 p90 -160.6 133.89 6.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 108.003 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.9 p -87.5 138.21 31.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.045 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.427 ' OD2' ' HA3' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -101.49 -170.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 109.283 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.8 -61.22 2.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.556 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.54 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 1.9 ttp-105 -134.78 56.48 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.347 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.427 ' HA3' ' OD2' ' A' ' 30' ' ' ASP . . . -177.45 -176.91 45.9 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.2 m -152.72 119.87 5.85 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.534 0.785 . . . . 0.0 110.438 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.8 mm -100.15 140.45 19.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.589 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.5 mp -125.82 150.31 31.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.39 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.417 ' HG2' ' CG ' ' A' ' 7' ' ' GLN . 4.7 tm-20 -149.76 148.64 29.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.589 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 2.1 mpt_? -144.65 161.3 39.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.62 -178.37 48.38 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.471 ' O ' ' CE2' ' A' ' 24' ' ' TYR . 6.8 m -86.62 168.0 14.03 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.516 ' CA ' ' OE2' ' A' ' 20' ' ' GLU . . . 82.16 -160.25 40.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.546 1.154 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.17 100.13 1.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.574 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -74.97 -178.3 4.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.525 1.802 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.95 136.73 35.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 45' ' ' VAL . 13.9 m -79.03 113.41 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.74 151.91 37.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 140.01 24.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.6 -15.5 61.89 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.5 t -124.3 147.91 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.409 0.711 . . . . 0.0 109.253 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.512 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 63.4 m-80 -94.89 132.18 39.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.777 HD12 ' O ' ' A' ' 25' ' ' LYS . 34.6 tp -145.06 142.43 29.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.482 ' H ' HD12 ' A' ' 51' ' ' LEU . 11.4 t-20 -132.09 149.21 52.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.2 m -121.68 139.72 53.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.413 ' SG ' ' HE3' ' A' ' 25' ' ' LYS . 5.1 p -160.74 166.12 29.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 108.271 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -129.35 29.22 5.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.474 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -102.37 148.37 25.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.373 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.488 ' OD1' ' CB ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -66.27 131.3 45.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.241 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.656 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 43.9 ttp85 55.45 28.69 12.0 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.537 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 1.7 p -71.43 -12.66 61.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 108.308 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.547 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -89.17 87.45 7.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.405 ' OXT' ' CG ' ' A' ' 61' ' ' ASN . 15.7 p-10 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.758 HD13 ' HA ' ' A' ' 21' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -91.55 119.62 31.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.679 ' SG ' HD23 ' A' ' 1' ' ' LEU . 70.8 m -125.95 169.92 12.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.316 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.629 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 56.0 m-70 -71.48 158.8 35.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.546 1.154 . . . . 0.0 109.598 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.562 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 1.4 p30 -128.28 -40.13 1.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.537 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 1.5 pt20 -40.17 152.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.464 ' HG2' ' N ' ' A' ' 8' ' ' SER . 39.1 tt0 -130.13 149.45 51.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.464 ' N ' ' HG2' ' A' ' 7' ' ' GLN . 1.7 m 67.05 -97.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.028 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.67 30.04 3.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.518 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -62.05 178.79 0.3 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.518 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -75.02 170.59 20.07 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.537 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 18.2 Cg_endo -75.01 94.61 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.562 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 1.1 p -124.8 144.53 50.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.379 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 3' ' ' CYS . 0.4 OUTLIER -127.36 175.03 8.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -166.24 146.47 6.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -91.89 129.25 37.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.347 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.6 m -92.74 160.13 15.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 108.262 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.8 m -111.63 145.64 38.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 110.049 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 43.88 28.21 1.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.555 1.16 . . . . 0.0 111.037 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.412 ' OE1' ' HA ' ' A' ' 20' ' ' GLU . 5.6 tp10 -140.91 131.41 25.36 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.503 0.766 . . . . 0.0 110.386 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.758 ' HA ' HD13 ' A' ' 1' ' ' LEU . 6.3 t -128.98 38.7 3.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.47 HD21 ' NH2' ' A' ' 55' ' ' ARG . 7.6 m-80 -148.04 149.36 31.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.447 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 6.9 m -152.29 149.01 28.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 108.322 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.685 ' CD2' HD11 ' A' ' 51' ' ' LEU . 18.0 p90 -140.89 158.88 43.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.722 ' HD3' ' H ' ' A' ' 61' ' ' ASN . 4.8 pttp -124.8 142.38 51.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.519 ' HB3' HD12 ' A' ' 51' ' ' LEU . 1.3 ptpt -131.78 143.7 50.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 22.1 p90 -149.34 158.58 44.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 108.022 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.723 ' CZ2' HG21 ' A' ' 35' ' ' ILE . 30.8 p90 -160.82 134.7 6.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 108.042 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 m -84.24 137.55 33.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.465 1.103 . . . . 0.0 109.95 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.75 -170.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -48.05 -62.83 1.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.547 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.529 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 5.1 ttt180 -133.39 54.46 1.95 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.95 -172.59 42.56 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.1 m -149.93 124.68 9.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 0.735 . . . . 0.0 110.384 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.723 HG21 ' CZ2' ' A' ' 28' ' ' TRP . 94.6 mt -97.78 139.76 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.431 ' HB ' ' CA ' ' A' ' 8' ' ' SER . 5.7 mm -124.16 151.34 29.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -156.05 146.53 21.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.579 ' CZ ' ' HA ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -147.39 157.79 43.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.72 177.19 48.04 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.447 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.3 m -84.37 169.14 14.92 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.22 -169.05 37.54 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -161.77 79.66 2.03 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 177.29 8.8 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.501 1.79 . . . . 0.0 110.965 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.71 106.63 17.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.723 HG21 ' CB ' ' A' ' 51' ' ' LEU . 12.4 p -78.51 119.74 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.405 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.401 ' CE ' ' HD2' ' A' ' 47' ' ' PRO . 0.3 OUTLIER -77.36 170.52 15.93 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.401 ' HD2' ' CE ' ' A' ' 46' ' ' LYS . 18.3 Cg_endo -75.05 146.2 32.2 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.453 1.765 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.33 -31.84 7.31 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.564 1.165 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.408 HG13 ' HB3' ' A' ' 28' ' ' TRP . 58.8 t -112.05 151.15 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.781 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -96.52 140.22 31.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.723 ' CB ' HG21 ' A' ' 45' ' ' VAL . 8.5 tt -157.84 147.46 20.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.606 ' N ' HD23 ' A' ' 51' ' ' LEU . 46.7 t-20 -136.31 137.09 40.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.7 m -113.08 140.61 47.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 108.323 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -158.16 163.23 37.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 108.353 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.47 ' NH2' HD21 ' A' ' 22' ' ' ASN . 21.7 mtp85 -118.16 22.38 12.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.456 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -103.77 146.9 27.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.382 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.1 140.05 58.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.629 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 1.8 mtp-105 48.52 28.75 1.84 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.448 1.092 . . . . 0.0 110.268 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.456 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 13.0 p -81.39 -24.28 37.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 108.253 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.419 ' ND2' ' HB3' ' A' ' 23' ' ' CYS . 42.8 p-10 -94.76 84.71 4.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.722 ' H ' ' HD3' ' A' ' 25' ' ' LYS . 10.1 t-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.252 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.85 HD13 ' HA ' ' A' ' 21' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.579 ' HG3' HG22 ' A' ' 14' ' ' THR . 2.7 pt-20 -102.66 130.15 49.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.3 m -115.89 175.82 5.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 108.327 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.671 ' CD2' ' HB3' ' A' ' 61' ' ' ASN . 9.6 m-70 -66.93 169.19 8.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.561 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -131.12 -44.58 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.575 ' NE2' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -40.82 151.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.505 ' OE1' ' CB ' ' A' ' 8' ' ' SER . 1.6 tm0? -124.9 145.25 49.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.226 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.505 ' CB ' ' OE1' ' A' ' 7' ' ' GLN . 1.8 m 64.73 -97.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.031 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.9 m -133.61 35.37 3.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.068 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.557 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -66.95 -178.67 0.36 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.575 ' O ' ' NE2' ' A' ' 6' ' ' GLN . 18.2 Cg_endo -75.05 173.47 14.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.8 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 109.45 2.93 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.785 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.6 p -142.16 136.67 30.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.399 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.579 HG22 ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -126.73 164.4 21.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.44 168.76 7.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.7 m -71.02 137.29 48.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -84.91 172.61 11.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.587 1.18 . . . . 0.0 108.293 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' GLU . 5.8 m -73.14 -160.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.966 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.63 57.69 0.49 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.481 ' OE1' ' N ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -147.22 155.18 41.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 0.764 . . . . 0.0 110.29 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.85 ' HA ' HD13 ' A' ' 1' ' ' LEU . 2.5 t -117.92 28.66 8.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.441 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.603 HD21 HG23 ' A' ' 21' ' ' THR . 4.2 m-80 -152.15 158.46 42.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 90.5 m -146.1 155.54 42.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 108.269 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.559 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 27.5 p90 -138.1 160.9 38.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.508 ' CD ' ' HA ' ' A' ' 60' ' ' ASN . 1.0 OUTLIER -116.31 156.37 26.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -151.83 128.4 10.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.537 ' CE2' ' HB3' ' A' ' 50' ' ' ASN . 13.9 p90 -148.44 162.02 40.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.404 ' CZ2' HD13 ' A' ' 35' ' ' ILE . 13.4 p90 -158.55 138.35 12.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 108.039 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 m -83.68 143.85 29.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 32' ' ' ARG . 2.3 p30 -113.25 -162.6 0.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -49.81 -62.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.642 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.45 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 31.8 mtt180 -139.59 53.06 1.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.429 ' CA ' ' OD2' ' A' ' 30' ' ' ASP . . . -170.62 -174.29 38.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.6 m -153.84 126.24 8.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 110.351 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 27' ' ' TRP . 3.1 mt -100.39 137.52 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.402 ' HB ' ' O ' ' A' ' 8' ' ' SER . 19.4 mt -131.01 147.75 33.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.454 ' OE1' ' CG ' ' A' ' 7' ' ' GLN . 33.5 tp10 -157.98 149.23 21.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.715 ' NH2' ' HA ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -132.14 166.75 21.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.36 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.13 -179.07 47.31 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 3.5 m -90.05 175.73 7.06 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.422 ' HA2' ' CD ' ' A' ' 20' ' ' GLU . . . 76.07 -165.14 53.99 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 40.6 t -155.22 92.82 2.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.559 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -75.03 -179.24 4.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.446 1.761 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -83.22 133.69 35.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.528 HG12 HD22 ' A' ' 51' ' ' LEU . 32.7 m -79.13 113.54 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.085 . . . . 0.0 109.254 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.17 151.7 47.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.253 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 141.16 26.22 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.522 1.801 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.2 -32.59 5.82 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.576 1.172 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.2 t -102.09 142.49 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.537 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -85.34 133.75 34.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 109.284 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.528 HD22 HG12 ' A' ' 45' ' ' VAL . 3.6 tt -156.58 133.5 10.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 24' ' ' TYR . 12.4 t-20 -129.89 145.2 51.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.246 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.0 m -121.61 142.41 50.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 108.302 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.8 p -155.07 163.54 40.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 108.312 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.497 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 3.6 mtt85 -123.11 22.73 9.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.452 ' O ' ' SG ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -106.17 145.11 31.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 0.9 OUTLIER -60.93 139.71 57.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.336 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.667 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 40.9 ttp180 47.71 31.5 2.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 110.3 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 56' ' ' THR . 16.0 p -81.35 -22.67 38.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 108.334 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.508 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 39.9 p-10 -93.93 88.28 5.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.715 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 8.9 p-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.434 HD23 ' SG ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -94.9 118.97 32.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 14' ' ' THR . 56.4 m -128.77 169.6 14.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.308 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.606 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 92.9 m-70 -75.84 157.34 33.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.548 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 6' ' ' GLN . 1.3 p30 -119.89 -37.71 3.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.574 ' NE2' HH22 ' A' ' 38' ' ' ARG . 0.0 OUTLIER -36.57 149.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.091 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.431 ' HG2' ' N ' ' A' ' 8' ' ' SER . 34.9 tt0 -124.17 151.19 44.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.431 ' N ' ' HG2' ' A' ' 7' ' ' GLN . 1.7 m 62.32 -97.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.944 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 p -136.17 35.93 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.406 1.066 . . . . 0.0 110.021 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.556 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -66.71 -178.65 0.35 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.556 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.5 Cg_endo -74.98 170.42 20.45 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.537 1.809 . . . . 0.0 111.05 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.87 2.82 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.526 1.803 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.548 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 1.8 p -140.87 138.25 33.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.427 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -125.07 169.39 12.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 110.413 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.477 ' HZ3' ' C ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -167.46 149.83 5.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.477 ' C ' ' HZ3' ' A' ' 15' ' ' LYS . 19.0 m -87.32 132.12 34.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.398 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.408 ' SG ' ' NZ ' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -91.35 152.44 20.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 108.313 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.1 p -102.57 149.64 24.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.065 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 39.71 38.57 1.12 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.549 1.156 . . . . 0.0 111.033 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -157.3 135.97 11.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.418 ' C ' HD13 ' A' ' 1' ' ' LEU . 5.4 t -131.7 38.23 3.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.359 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -146.61 163.48 35.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.585 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 97.6 m -150.6 147.44 27.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 108.38 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.58 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 43.4 p90 -134.96 156.18 49.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.943 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.84 ' O ' HD22 ' A' ' 51' ' ' LEU . 7.8 mttm -109.5 148.91 30.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.458 ' HB3' HD23 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -147.72 127.97 13.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.428 1.08 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.575 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 22.8 p90 -151.32 159.84 44.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 107.989 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 9.4 p90 -160.28 143.24 13.49 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.0 p -80.18 137.58 36.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.945 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 32' ' ' ARG . 2.3 p30 -101.58 -161.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -49.73 -62.64 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.613 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.421 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 4.0 mtt180 -139.55 53.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.59 -175.14 40.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.602 1.189 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.568 HG22 HD11 ' A' ' 36' ' ' ILE . 4.2 m -136.62 123.56 21.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 0.8 . . . . 0.0 110.468 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.4 mt -95.52 133.26 37.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.568 HD11 HG22 ' A' ' 34' ' ' THR . 6.2 mm -119.38 147.75 22.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 38' ' ' ARG . 48.6 tp10 -161.49 156.55 23.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.574 HH22 ' NE2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -131.29 176.72 8.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.578 1.174 . . . . 0.0 110.239 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.513 ' HA3' ' CZ ' ' A' ' 24' ' ' TYR . . . -174.04 174.7 46.44 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.412 1.07 . . . . 0.0 111.05 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 69.0 m -104.6 148.27 26.71 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.86 -153.55 20.64 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 47.2 t -149.78 94.3 3.85 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.58 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 18.5 Cg_endo -74.95 178.64 6.97 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.23 137.35 33.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.707 HG12 HD12 ' A' ' 51' ' ' LEU . 17.0 m -78.99 113.4 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.09 153.26 37.86 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 146.78 33.35 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.485 1.782 . . . . 0.0 111.053 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.31 -10.16 64.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 66.3 t -129.67 139.16 52.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.486 0.757 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.575 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 57.6 m-80 -86.83 129.28 34.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.243 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.84 HD22 ' O ' ' A' ' 25' ' ' LYS . 2.9 tm? -137.52 133.77 34.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.416 ' N ' HD13 ' A' ' 51' ' ' LEU . 6.5 t-20 -132.47 149.12 52.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 55.0 m -125.1 142.42 51.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 108.29 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.9 p -154.63 164.41 38.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.598 1.186 . . . . 0.0 108.26 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -129.52 21.67 5.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.427 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -105.74 147.85 28.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 110.391 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.43 141.02 58.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.606 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 6.4 mtm180 49.85 25.95 1.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.427 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 19.9 p -71.46 -30.64 66.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 108.317 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.585 ' ND2' ' HB3' ' A' ' 23' ' ' CYS . 33.1 p30 -98.27 87.51 3.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.599 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . 36.7 t-20 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.493 HD13 ' CA ' ' A' ' 21' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.671 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 3.0 tt0 -97.4 120.2 37.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.352 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.578 ' O ' HG22 ' A' ' 14' ' ' THR . 94.1 m -121.32 160.81 23.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 108.284 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 22.9 m-70 -74.0 163.28 28.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.56 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' GLN . 1.3 m-20 -130.68 -43.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.547 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.2 OUTLIER -37.65 145.71 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.513 ' CG ' ' OE1' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -125.38 153.38 43.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.487 ' O ' HD13 ' A' ' 36' ' ' ILE . 1.6 m 58.69 -95.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 110.035 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.98 44.83 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 109.94 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.517 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.0 mt-30 -77.82 177.53 2.69 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.547 ' O ' ' HB3' ' A' ' 6' ' ' GLN . 18.2 Cg_endo -74.97 173.56 14.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 0.0 111.043 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 92.95 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 p -124.71 138.6 54.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -127.87 172.77 10.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.377 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -157.68 158.79 36.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.358 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.8 m -98.67 128.17 44.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.341 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.3 m -100.01 149.31 23.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 108.308 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.07 155.45 41.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.55 -48.5 3.68 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.586 1.178 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.564 ' OE2' ' N ' ' A' ' 41' ' ' GLY . 0.0 OUTLIER -114.71 141.42 47.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.528 ' N ' ' HG2' ' A' ' 20' ' ' GLU . 67.0 p -117.66 51.01 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.399 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.524 ' ND2' ' HG2' ' A' ' 55' ' ' ARG . 8.6 m120 -148.65 156.81 42.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.242 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 58.3 m -150.98 157.73 43.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 108.289 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.57 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 17.1 p90 -141.36 162.28 35.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.093 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -123.37 153.56 40.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 10.3 ptmt -150.52 136.16 18.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 18.3 p90 -150.14 162.36 40.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 108.027 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.0 p90 -160.08 134.77 7.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 107.99 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.6 p -89.53 143.8 26.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.597 1.185 . . . . 0.0 109.946 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 33' ' ' GLY . 1.1 p-10 -105.42 -170.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -47.53 -63.42 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.607 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.534 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 2.8 ttm180 -132.4 55.75 1.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -170.97 -177.06 40.61 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.2 m -154.13 118.44 4.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 0.0 110.364 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.1 mt -100.9 140.08 20.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.424 1.078 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.487 HD13 ' O ' ' A' ' 8' ' ' SER . 4.3 mp -123.54 150.29 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.513 ' OE1' ' CG ' ' A' ' 7' ' ' GLN . 7.0 tp10 -151.66 141.66 22.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.81 ' NH2' ' O ' ' A' ' 61' ' ' ASN . 1.8 mpt_? -147.72 153.84 39.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.24 -174.46 43.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.2 m -91.37 161.5 14.98 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.564 ' N ' ' OE2' ' A' ' 20' ' ' GLU . . . 101.33 -172.99 23.67 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.3 t -154.08 78.93 5.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.57 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -74.98 -179.71 5.25 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 111.045 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -83.72 137.71 33.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.611 HG23 ' HB3' ' A' ' 51' ' ' LEU . 13.9 p -78.36 113.06 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.18 160.55 65.28 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 149.31 36.24 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.47 1.773 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 71.08 4.08 54.45 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.7 t -130.18 138.94 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.786 . . . . 0.0 109.369 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.466 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -89.94 132.76 35.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.234 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.611 ' HB3' HG23 ' A' ' 45' ' ' VAL . 3.5 tt -151.82 137.65 18.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -138.54 138.12 37.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.3 m -107.28 145.19 33.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.428 1.08 . . . . 0.0 108.345 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -153.87 159.86 41.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 108.294 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.524 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 82.6 mtt180 -115.13 11.79 16.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.243 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.484 ' O ' ' SG ' ' A' ' 59' ' ' CYS . 1.4 p -98.93 143.51 29.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 110.404 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.671 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 11.9 m-20 -66.69 147.16 53.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.518 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 11.3 mtm180 51.6 19.95 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 110.36 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 56' ' ' THR . 16.6 p -71.02 -24.26 62.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 108.331 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.439 ' C ' ' HG2' ' A' ' 38' ' ' ARG . 23.9 p30 -98.33 78.49 2.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 1.034 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 4.4 t-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 21' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.592 ' HG3' HG21 ' A' ' 14' ' ' THR . 8.1 pt-20 -100.95 125.01 47.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.595 ' O ' HG22 ' A' ' 14' ' ' THR . 72.3 m -103.45 167.44 9.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 108.345 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.608 ' CD2' ' CG ' ' A' ' 58' ' ' ARG . 0.8 OUTLIER -69.13 167.34 16.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.61 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -130.11 -43.56 1.19 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.507 ' CB ' ' HB3' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -48.78 147.97 2.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.259 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -125.35 156.72 38.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.406 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 1.8 m 58.97 -97.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.917 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.63 42.09 2.85 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 110.065 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.542 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -75.29 177.6 2.26 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.542 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -74.99 174.5 12.67 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.499 1.789 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 107.08 2.4 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.554 1.818 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.8 p -142.1 138.98 32.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.409 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -132.92 172.07 13.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.65 155.78 7.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.353 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -64.18 136.09 56.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.409 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 3' ' ' CYS . 1.2 m -91.56 174.29 7.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 108.344 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 20' ' ' GLU . 5.5 t -82.76 -149.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.592 1.182 . . . . 0.0 109.984 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.36 57.12 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -136.77 158.23 44.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 0.803 . . . . 0.0 110.329 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.607 HG23 ' ND2' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -135.12 19.12 3.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.607 ' ND2' HG23 ' A' ' 21' ' ' THR . 1.7 m-80 -143.08 148.99 37.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.461 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 13.6 m -133.64 142.75 48.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 108.239 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.513 ' CZ ' ' HG3' ' A' ' 43' ' ' PRO . 7.0 p90 -132.65 160.63 36.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.728 ' HZ1' ' H ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -121.84 160.0 25.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.352 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -151.22 136.97 18.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.555 ' CE2' ' CB ' ' A' ' 50' ' ' ASN . 24.1 p90 -149.35 159.7 44.05 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.424 ' HB3' HG13 ' A' ' 49' ' ' VAL . 11.1 p90 -160.16 143.97 14.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 108.009 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.6 p -85.38 156.04 21.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.089 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.96 -166.13 1.35 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -62.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.585 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.96 51.08 2.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.404 1.065 . . . . 0.0 110.316 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.86 -171.07 35.81 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.562 1.164 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.7 m -153.23 120.01 5.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 0.777 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.5 mm -97.76 138.78 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.497 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.2 mp -129.27 150.0 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -151.82 152.77 33.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.759 ' NH2' ' O ' ' A' ' 61' ' ' ASN . 2.0 mpt_? -146.45 149.77 34.32 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.17 -175.55 41.05 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.6 OUTLIER -88.7 173.95 8.3 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.56 -169.09 35.35 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.9 t -158.79 86.24 2.33 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.712 ' HG2' HD11 ' A' ' 51' ' ' LEU . 18.3 Cg_endo -75.0 179.5 6.02 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.543 1.812 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -83.7 135.56 34.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 45' ' ' VAL . 8.2 p -79.14 112.03 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.409 1.068 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.81 154.48 42.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 140.99 26.14 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.536 1.809 . . . . 0.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.63 -11.83 69.49 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.541 1.151 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.424 HG13 ' HB3' ' A' ' 28' ' ' TRP . 97.0 t -128.07 146.31 33.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 0.792 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.555 ' CB ' ' CE2' ' A' ' 27' ' ' TRP . 1.2 m120 -90.91 134.1 34.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.712 HD11 ' HG2' ' A' ' 43' ' ' PRO . 5.9 tt -152.05 134.91 15.59 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.508 ' N ' HD23 ' A' ' 51' ' ' LEU . 13.1 t-20 -140.24 142.17 35.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 68.3 m -115.51 147.49 40.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 108.284 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -151.18 163.4 38.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 108.307 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.491 ' CZ ' ' OD1' ' A' ' 22' ' ' ASN . 9.1 mtp85 -117.71 19.99 13.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.457 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -105.71 144.19 32.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.358 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.74 140.64 58.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.219 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.608 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 3.6 ttp180 48.04 29.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.457 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 26.6 p -72.08 -24.87 61.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.347 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.468 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 10.5 p30 -92.72 83.97 4.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.759 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 8.7 p-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.558 HD23 ' SG ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.489 ' HG2' ' CG2' ' A' ' 14' ' ' THR . 4.8 tt0 -98.5 119.03 36.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.558 ' SG ' HD23 ' A' ' 1' ' ' LEU . 91.8 m -131.13 168.12 17.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 108.266 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.577 ' CE1' ' CD ' ' A' ' 58' ' ' ARG . 54.9 m80 -70.67 162.53 28.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.602 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -130.06 -38.73 1.41 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.502 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 2.1 pt20 -41.68 154.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.418 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 11.4 pt20 -138.21 156.31 47.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.544 ' O ' HD13 ' A' ' 36' ' ' ILE . 1.7 m 66.01 -93.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.3 p -141.12 35.92 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.485 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -72.73 177.24 1.96 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -75.01 170.75 19.72 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.524 1.802 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.502 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 18.2 Cg_endo -74.97 84.05 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.798 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 p -110.22 140.84 43.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.489 ' CG2' ' HG2' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -127.38 171.13 11.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.12 152.3 12.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.1 m -93.48 132.98 37.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.419 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.8 m -99.84 152.4 20.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.262 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.28 131.25 56.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.037 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.56 -50.09 4.17 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -80.01 123.58 27.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 110.235 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.459 ' C ' ' ND2' ' A' ' 22' ' ' ASN . 7.2 t -114.59 39.38 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.459 ' ND2' ' C ' ' A' ' 21' ' ' THR . 3.0 m-80 -148.37 157.08 43.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.49 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 1.6 m -146.58 152.63 39.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 108.277 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.63 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 40.1 p90 -140.38 160.32 40.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -130.74 136.11 48.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 6.4 ptpt -131.43 139.9 49.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 20.8 p90 -150.64 158.3 43.99 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.513 ' CH2' HG21 ' A' ' 35' ' ' ILE . 9.2 p90 -162.06 134.92 5.98 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -85.84 148.61 25.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 33' ' ' GLY . 2.6 p30 -117.52 -161.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -46.13 -69.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.588 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -133.69 57.2 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 30' ' ' ASP . . . -174.2 -178.41 44.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 m -147.54 120.39 8.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 0.0 110.422 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.513 HG21 ' CH2' ' A' ' 28' ' ' TRP . 3.1 mp -95.41 132.75 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.63 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.8 mp -130.38 145.92 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 38' ' ' ARG . 7.4 tp10 -158.23 138.04 12.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.63 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 1.2 mpt_? -130.44 167.95 17.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.43 -175.41 47.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.566 1.166 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 1.2 m -94.66 157.61 15.89 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.63 -159.9 19.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.0 t -160.37 94.49 1.56 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.63 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.5 Cg_endo -75.0 -179.21 4.77 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.472 1.775 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.11 135.43 34.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.8 p -78.85 112.88 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.56 151.42 37.44 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 135.16 18.71 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.13 -26.28 23.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.546 1.154 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 88.9 t -113.25 140.89 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.5 OUTLIER -88.76 134.12 34.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.8 tp -149.86 142.55 24.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -140.17 131.34 26.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 35.6 m -109.33 143.53 38.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 108.296 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -156.43 163.84 38.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 108.306 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -118.94 21.81 12.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.242 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.473 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -101.16 148.18 25.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.388 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.1 137.8 58.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.577 ' CD ' ' CE1' ' A' ' 4' ' ' HIS . 6.5 mtm180 47.88 30.09 1.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.473 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 14.5 p -76.06 -19.03 58.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 108.331 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 39.1 p-10 -97.98 79.67 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.669 ' OXT' ' CG ' ' A' ' 61' ' ' ASN . 13.9 t30 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.475 HD13 ' OG1' ' A' ' 21' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -104.14 127.13 51.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.9 m -129.07 173.02 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 108.28 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.613 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 93.2 m-70 -79.01 160.24 27.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.403 1.065 . . . . 0.0 109.54 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.509 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -123.54 -33.14 3.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.553 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.6 OUTLIER -37.41 145.63 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.522 ' NE2' ' HB2' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -119.89 147.15 45.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.317 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m 62.95 -97.1 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 m -132.42 35.62 3.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.943 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.579 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 1.9 mt-30 -65.42 179.94 0.39 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.245 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.579 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.1 Cg_endo -75.03 170.82 19.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.535 1.808 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 83.81 1.77 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.467 1.772 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.509 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 3.1 p -112.15 139.04 48.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 110.369 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -123.91 171.33 9.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.358 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.79 158.07 12.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 m -94.43 132.86 38.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.329 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.3 m -90.31 156.03 18.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 108.286 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 19' ' ' GLY . 8.0 m -95.81 130.16 42.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 18' ' ' SER . . . 37.15 49.56 1.57 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 21' ' ' THR . 5.4 tp10 -149.92 128.23 12.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.475 ' OG1' HD13 ' A' ' 1' ' ' LEU . 5.0 t -123.42 31.94 5.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.433 1.083 . . . . 0.0 110.385 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -141.95 153.49 44.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 99.9 m -149.6 156.55 42.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.173 . . . . 0.0 108.326 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.593 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 29.2 p90 -140.93 160.03 40.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.707 ' HZ1' ' H ' ' A' ' 61' ' ' ASN . 2.7 mtpp -116.91 138.46 51.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.577 1.173 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -135.76 129.46 32.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.544 ' CE2' ' HB3' ' A' ' 50' ' ' ASN . 25.8 p90 -151.0 161.77 42.1 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 12.9 p90 -159.88 136.68 9.22 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -81.6 145.38 30.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.43 ' OD2' ' CA ' ' A' ' 33' ' ' GLY . 2.8 p30 -109.67 -163.18 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -49.37 -64.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.6 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.2 52.35 1.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 110.364 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.43 ' CA ' ' OD2' ' A' ' 30' ' ' ASP . . . -166.66 -171.77 33.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.538 1.149 . . . . 0.0 111.048 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 m -150.89 120.32 6.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.471 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.8 mt -97.51 134.91 33.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 36' ' ' ILE . 3.9 mp -126.35 150.79 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.522 ' HB2' ' NE2' ' A' ' 7' ' ' GLN . 4.9 tp10 -160.05 132.3 6.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.327 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 1.175 ' NH2' ' O ' ' A' ' 61' ' ' ASN . 1.7 mpt_? -123.51 153.46 40.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.62 -177.33 40.05 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.546 1.153 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -91.9 160.26 15.37 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.87 -172.02 23.23 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.439 1.087 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 47.0 t -152.35 88.97 3.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.593 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.5 Cg_endo -74.96 177.17 8.93 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.473 1.775 . . . . 0.0 111.098 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.464 ' C ' HD23 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -83.65 138.94 33.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.749 ' HA ' HD23 ' A' ' 51' ' ' LEU . 11.7 p -78.52 114.21 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.81 152.93 38.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.4 1.063 . . . . 0.0 109.348 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 135.03 18.69 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.4 -24.85 30.57 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.11 . . . . 0.0 111.006 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 90.7 t -114.93 142.99 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.544 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 64.4 m-80 -88.57 130.08 35.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.749 HD23 ' HA ' ' A' ' 45' ' ' VAL . 17.3 tp -145.3 131.8 19.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -133.28 148.35 51.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 63.0 m -121.25 147.78 45.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 108.342 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.4 p -156.59 164.98 37.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 108.328 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -129.5 23.27 5.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.46 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -106.68 148.08 28.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.467 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -61.73 138.43 58.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 109.387 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.613 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 11.6 mtm180 49.18 29.07 2.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 110.257 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.46 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 23.2 p -70.51 -30.46 67.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 108.303 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.507 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 35.2 p30 -97.25 79.72 2.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 1.175 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 52.8 t-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.861 HD13 ' HA ' ' A' ' 21' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.602 ' HG3' HG21 ' A' ' 14' ' ' THR . 2.8 pt-20 -104.76 124.84 50.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.174 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 63.5 m -114.93 162.72 16.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 108.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.562 ' CE1' ' HD3' ' A' ' 58' ' ' ARG . 30.7 m-70 -78.12 157.85 29.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.609 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.535 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 0.5 OUTLIER -120.37 -40.91 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.419 ' OE1' ' O ' ' A' ' 11' ' ' PRO . 0.4 OUTLIER -46.79 151.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.408 ' CB ' ' OE1' ' A' ' 37' ' ' GLU . 7.1 pm0 -139.5 160.54 39.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.405 ' CA ' ' HB ' ' A' ' 36' ' ' ILE . 1.9 m 65.47 -94.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 109.965 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.28 31.33 1.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.455 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -67.98 175.59 1.69 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 110.326 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -74.94 172.74 15.76 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.467 1.772 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 109.74 2.99 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.496 1.787 . . . . 0.0 111.043 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.535 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 1.7 p -140.56 140.9 35.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.429 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.602 HG21 ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -140.65 169.05 18.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.478 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -167.48 157.81 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.9 m -77.22 130.69 37.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.7 m -89.94 169.21 11.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 108.324 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 20' ' ' GLU . 12.8 m -68.25 -149.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.043 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.27 57.05 0.18 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.12 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.9 OUTLIER -127.5 141.78 51.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 0.765 . . . . 0.0 110.307 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.861 ' HA ' HD13 ' A' ' 1' ' ' LEU . 50.4 p -127.23 31.17 5.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.492 ' ND2' ' C ' ' A' ' 21' ' ' THR . 2.5 m-80 -149.54 154.06 38.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.52 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 31.3 m -145.19 141.69 28.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.328 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.563 ' CE2' HD11 ' A' ' 51' ' ' LEU . 15.2 p90 -134.17 159.88 39.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -124.33 153.75 41.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -144.03 145.07 31.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.571 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 19.0 p90 -150.1 159.66 44.24 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.88 ' CZ2' HG21 ' A' ' 35' ' ' ILE . 14.8 p90 -160.28 134.28 7.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 108.013 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.0 p -86.19 149.11 25.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -161.94 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -50.3 -62.84 1.35 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 109.594 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -138.02 53.07 1.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.44 -172.37 34.5 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.565 1.166 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.3 m -149.06 123.56 9.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 110.412 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.88 HG21 ' CZ2' ' A' ' 28' ' ' TRP . 40.3 mm -99.53 140.54 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.568 HD13 ' HB2' ' A' ' 27' ' ' TRP . 4.4 mm -127.4 149.87 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' OE1' ' CB ' ' A' ' 7' ' ' GLN . 41.6 tp10 -159.31 139.34 11.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 110.248 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 1.052 ' NH2' ' O ' ' A' ' 61' ' ' ASN . 2.1 mpt_? -130.52 157.78 41.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -170.05 -179.96 41.96 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.443 1.09 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 1.174 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 54.8 m -96.92 172.97 7.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.81 -157.19 33.8 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 54.0 t -160.34 85.29 1.98 Allowed Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.546 ' HD3' ' CE1' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -75.01 177.73 8.2 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.525 1.803 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.1 123.12 29.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.6 p -79.47 112.57 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -84.15 162.65 51.08 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.399 1.062 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 134.86 18.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.428 1.751 . . . . 0.0 111.043 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.15 -31.59 8.19 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 69.9 t -106.79 140.83 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.565 0.803 . . . . 0.0 109.309 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.571 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 31.7 m-80 -90.22 135.96 33.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.221 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.563 HD11 ' CE2' ' A' ' 24' ' ' TYR . 6.5 tt -156.35 138.69 14.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.446 ' N ' HD23 ' A' ' 51' ' ' LEU . 6.7 t-20 -135.89 137.41 41.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.2 m -104.4 143.65 32.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.3 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -149.27 164.08 35.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 108.3 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.449 ' NE ' ' OD1' ' A' ' 22' ' ' ASN . 53.7 mtp180 -122.65 22.87 9.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -107.48 146.62 31.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.399 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.38 139.83 58.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.562 ' HD3' ' CE1' ' A' ' 4' ' ' HIS . 4.5 mtm180 49.87 28.92 3.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.606 1.191 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 56' ' ' THR . 20.9 p -68.6 -30.6 69.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.454 1.096 . . . . 0.0 108.271 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.526 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 15.8 p30 -94.99 84.69 4.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 1.052 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 9.8 p-10 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.513 ' CD2' ' SG ' ' A' ' 23' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 3.1 tt0 -101.46 118.37 36.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.838 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 72.1 m -111.39 156.08 22.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.291 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.779 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 2.9 m-70 -66.2 165.14 14.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.602 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -127.03 -41.9 1.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.241 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.511 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -48.4 150.97 1.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.268 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.485 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 14.2 tm0? -128.36 152.99 47.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m 60.43 -96.93 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -133.86 40.75 3.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.554 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -73.61 178.74 1.42 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.404 1.065 . . . . 0.0 110.255 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.554 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.0 Cg_endo -75.07 174.03 13.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.458 1.767 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 106.65 2.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.2 p -138.73 138.78 37.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.438 ' OG1' ' NH2' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -132.62 168.05 18.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.376 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -164.32 158.99 19.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 m -93.54 128.3 39.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.377 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -88.37 160.79 17.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 108.322 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 19' ' ' GLY . 61.8 p -103.09 147.75 26.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 18' ' ' SER . . . 34.85 49.96 0.77 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.462 ' OE2' ' N ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -160.63 143.16 12.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 0.78 . . . . 0.0 110.275 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.465 ' C ' ' ND2' ' A' ' 22' ' ' ASN . 2.0 t -140.56 44.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.43 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.465 ' ND2' ' C ' ' A' ' 21' ' ' THR . 4.0 m-80 -150.52 151.42 32.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.513 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 4.0 m -142.48 143.59 32.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 108.382 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.555 ' CZ ' ' HG3' ' A' ' 43' ' ' PRO . 19.0 p90 -133.56 160.02 38.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.06 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' NZ ' ' O ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -125.6 146.78 49.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -141.44 138.22 32.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.375 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 22.6 p90 -150.68 159.65 44.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 107.956 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.783 ' CH2' HG21 ' A' ' 35' ' ' ILE . 9.6 p90 -160.55 129.56 4.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 107.971 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -81.17 140.69 34.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.985 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.436 ' OD2' ' C ' ' A' ' 33' ' ' GLY . 4.1 p30 -105.93 -164.9 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -47.69 -61.03 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 109.593 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -140.15 55.14 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.235 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.436 ' C ' ' OD2' ' A' ' 30' ' ' ASP . . . -169.03 -173.26 36.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.125 . . . . 0.0 111.059 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.7 m -149.85 123.36 9.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 0.798 . . . . 0.0 110.281 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.783 HG21 ' CH2' ' A' ' 28' ' ' TRP . 4.6 mp -100.25 139.4 21.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.553 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.5 mp -131.94 150.84 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.445 ' HG2' ' CG ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -160.56 132.22 5.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.553 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 1.9 mpt_? -126.3 155.02 42.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.28 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.26 -175.62 39.83 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.441 1.088 . . . . 0.0 111.061 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.838 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 82.2 m -92.0 172.36 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.462 ' N ' ' OE2' ' A' ' 20' ' ' GLU . . . 83.03 -162.8 41.01 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 49.7 t -153.26 96.12 2.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.555 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -75.03 175.7 10.9 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.447 1.762 . . . . 0.0 110.978 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -84.56 135.13 34.34 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.702 ' HA ' HD23 ' A' ' 51' ' ' LEU . 34.9 m -79.26 112.57 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -97.53 157.11 35.33 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 143.45 28.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.552 1.817 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.32 -28.73 7.81 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.57 1.169 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 97.0 t -109.32 140.96 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.322 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -88.37 130.33 35.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.702 HD23 ' HA ' ' A' ' 45' ' ' VAL . 42.3 tp -146.45 135.39 22.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -139.79 141.15 36.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.1 m -115.29 147.1 40.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 108.283 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -153.01 160.55 43.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 108.299 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -117.73 20.48 13.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.49 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -101.11 145.46 28.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.417 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -62.63 136.81 58.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.653 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 2.3 ttt180 48.98 30.45 2.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.49 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 20.0 p -70.26 -26.48 63.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 108.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.502 ' HB2' ' CG ' ' A' ' 38' ' ' ARG . 27.2 p30 -94.14 84.4 4.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.837 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 15.8 t30 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.682 HD13 ' HB ' ' A' ' 21' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.691 ' HG3' HG21 ' A' ' 14' ' ' THR . 11.0 pt-20 -107.55 123.43 48.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.123 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 83.2 m -105.65 165.02 11.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 108.221 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.649 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 2.0 m-70 -68.29 167.08 15.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.569 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -131.08 -42.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.323 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.538 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -48.32 150.27 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.429 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -127.15 150.42 49.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 36' ' ' ILE . 1.6 m 64.17 -96.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.018 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.27 37.67 2.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.031 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.547 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -71.15 178.67 1.12 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.547 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -75.02 174.32 12.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 107.44 2.48 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.409 1.742 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 p -140.49 141.1 35.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.691 HG21 ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -134.39 173.28 11.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.383 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.29 145.64 4.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.2 m -71.34 131.18 43.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.452 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.9 m -92.95 157.16 16.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 108.269 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.422 ' C ' ' N ' ' A' ' 20' ' ' GLU . 68.5 p -69.96 -149.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -46.16 -19.97 0.46 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' A' ' 22' ' ' ASN . 2.1 tm-20 -76.41 118.73 19.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 0.736 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.682 ' HB ' HD13 ' A' ' 1' ' ' LEU . 53.6 p -115.3 47.19 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 110.425 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.461 ' N ' ' OE1' ' A' ' 20' ' ' GLU . 1.9 m-80 -144.61 152.52 40.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 1.4 m -140.1 143.67 36.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 108.287 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.532 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 4.1 p90 -137.13 158.01 45.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -121.56 156.49 32.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.933 ' HB3' HD12 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -148.79 139.35 22.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.419 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.5 p90 -150.42 158.36 44.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 107.994 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.628 ' CH2' HG21 ' A' ' 35' ' ' ILE . 13.3 p90 -161.28 132.33 5.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 107.988 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -81.3 138.31 35.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.537 ' OD2' ' CA ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -108.63 -168.58 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.95 -64.67 0.66 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.106 . . . . 0.0 109.636 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.527 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 4.7 ttm180 -136.98 59.57 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.537 ' CA ' ' OD2' ' A' ' 30' ' ' ASP . . . 179.73 -177.86 48.34 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.7 m -145.66 123.24 11.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 110.458 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.628 HG21 ' CH2' ' A' ' 28' ' ' TRP . 49.6 mm -97.11 138.92 20.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.523 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.2 mp -131.25 150.64 34.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.098 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' HA ' ' OE1' ' A' ' 37' ' ' GLU . 3.1 tp10 -157.07 148.79 22.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.523 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 2.0 mpt_? -141.1 153.4 45.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.31 -172.91 36.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.571 1.169 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 1.123 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.8 OUTLIER -98.71 168.15 10.33 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.31 -160.48 28.17 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.467 1.104 . . . . 0.0 110.989 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.8 t -161.28 87.02 1.66 Allowed Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.532 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -74.93 -179.57 5.09 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.8 . . . . 0.0 111.046 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.25 136.41 34.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.387 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.729 HG12 HD23 ' A' ' 51' ' ' LEU . 25.6 m -78.62 114.95 19.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -92.39 156.52 41.49 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 138.8 23.44 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.584 1.834 . . . . 0.0 111.046 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.59 -29.42 9.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.1 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.7 t -107.32 137.51 38.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -90.92 135.07 33.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.933 HD12 ' HB3' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -150.45 139.54 21.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -135.19 136.19 41.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.3 m -107.93 143.39 36.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 108.228 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -153.02 161.98 41.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 108.331 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -120.62 22.79 11.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.481 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -103.31 148.12 26.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 110.397 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.03 137.28 58.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.649 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 6.5 mtm180 47.29 30.56 1.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.481 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 18.2 p -69.52 -26.43 64.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 108.331 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.489 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 26.3 p-10 -95.49 82.64 3.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.783 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 11.1 p30 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.469 HD23 ' SG ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 4.8 tt0 -95.45 122.75 38.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.469 ' SG ' HD23 ' A' ' 1' ' ' LEU . 93.5 m -129.51 167.72 17.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 108.261 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.651 ' CE1' ' CD ' ' A' ' 58' ' ' ARG . 89.5 m-70 -71.71 157.87 37.16 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.548 1.155 . . . . 0.0 109.647 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.526 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 0.6 OUTLIER -123.63 -37.62 2.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.51 ' CB ' ' HB3' ' A' ' 10' ' ' GLN . 1.1 pt20 -37.52 146.45 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.555 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 2.0 tt0 -124.97 151.56 45.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.453 ' CA ' ' HB ' ' A' ' 36' ' ' ILE . 1.5 m 64.88 -95.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.4 m -135.7 33.18 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.985 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.555 ' NE2' ' O ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -64.83 177.52 0.59 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 110.296 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.509 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -74.99 171.97 17.28 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.448 1.762 . . . . 0.0 110.943 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 86.53 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.397 1.735 . . . . 0.0 111.035 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.526 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 1.6 p -115.48 141.5 47.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.414 HG21 ' HG3' ' A' ' 58' ' ' ARG . 1.1 m -129.68 169.62 14.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -166.86 161.89 15.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.4 m -84.35 143.93 29.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.426 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 19.3 m -97.53 -179.97 4.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 108.307 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.412 ' C ' ' N ' ' A' ' 20' ' ' GLU . 3.4 m -96.69 -149.62 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 110.011 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -49.24 -18.88 1.48 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 22' ' ' ASN . 2.0 tm-20 -77.48 123.7 26.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.751 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 t -111.29 38.81 2.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.356 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.552 ' ND2' ' HG2' ' A' ' 55' ' ' ARG . 8.1 m120 -143.56 154.6 43.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.427 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 1.8 m -149.53 146.33 27.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 108.314 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.552 ' CD2' HD21 ' A' ' 51' ' ' LEU . 24.1 p90 -135.68 160.36 38.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.443 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -126.68 137.52 53.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -131.39 142.49 50.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.551 ' HB2' HD13 ' A' ' 36' ' ' ILE . 16.4 p90 -150.14 159.74 44.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 107.981 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.737 ' CH2' HG21 ' A' ' 35' ' ' ILE . 11.7 p90 -160.43 133.95 6.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.2 p -86.09 142.28 28.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.008 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.53 -163.97 0.94 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -52.22 -64.36 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.573 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -133.85 51.9 2.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.14 -171.47 34.89 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.499 HG22 HD11 ' A' ' 36' ' ' ILE . 7.5 m -155.46 121.76 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 110.43 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.737 HG21 ' CH2' ' A' ' 28' ' ' TRP . 46.9 mm -96.62 141.47 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.586 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 4.0 mm -128.82 153.24 38.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -159.51 143.5 14.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.285 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.664 ' NE ' ' O ' ' A' ' 61' ' ' ASN . 1.6 mpt_? -148.75 156.82 42.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.584 1.178 . . . . 0.0 110.296 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.59 -177.67 48.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -80.75 -178.92 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.39 -171.71 55.15 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -160.59 86.07 1.87 Allowed Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -178.13 3.96 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.792 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.14 135.16 35.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.6 m -79.03 113.51 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.34 154.28 48.85 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 137.33 21.49 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.92 -28.82 12.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.577 1.173 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 38.8 t -114.4 146.4 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.433 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 9.0 m-20 -92.81 135.97 33.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.552 HD21 ' CD2' ' A' ' 24' ' ' TYR . 1.3 tt -148.29 146.62 28.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -141.74 133.24 26.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.241 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.54 142.97 43.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 0.0 108.346 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -158.79 161.58 36.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 108.324 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.552 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 59.7 mtp180 -117.8 23.22 11.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.447 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -101.8 147.47 26.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.428 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.25 139.02 58.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.651 ' CD ' ' CE1' ' A' ' 4' ' ' HIS . 10.8 mtm180 48.59 29.31 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.447 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 13.8 p -78.55 -25.42 45.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 108.263 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.428 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 46.4 p-10 -96.51 80.53 3.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.399 1.062 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 1.168 ' OXT' ' ND2' ' A' ' 61' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.481 ' CD2' ' SG ' ' A' ' 23' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.733 ' HG3' HG21 ' A' ' 14' ' ' THR . 5.0 pt-20 -104.81 121.63 44.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.523 ' O ' HG22 ' A' ' 14' ' ' THR . 84.6 m -107.05 156.96 18.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 108.247 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.744 ' CD2' ' HB3' ' A' ' 61' ' ' ASN . 1.2 m-70 -69.17 162.28 27.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.559 1.162 . . . . 0.0 109.571 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -129.64 -43.93 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 11' ' ' PRO . 0.5 OUTLIER -49.96 152.71 1.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.416 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 1.5 pp0? -140.57 159.59 41.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.069 . . . . 0.0 110.309 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.517 ' O ' HD13 ' A' ' 36' ' ' ILE . 2.9 m 64.31 -93.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.599 1.187 . . . . 0.0 109.969 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.4 p -141.08 38.14 1.76 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.445 1.091 . . . . 0.0 109.99 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.442 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -75.98 174.81 4.98 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -75.01 173.56 14.3 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.433 1.754 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 105.73 2.14 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.0 p -138.3 138.16 38.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.591 1.182 . . . . 0.0 110.416 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.733 HG21 ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -135.16 166.97 21.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 110.444 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 8.0 tttt -155.71 158.74 38.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.235 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 m -85.63 131.85 34.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.445 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.0 m -96.77 151.52 19.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.339 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.3 p -117.98 138.19 52.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.981 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.28 -48.74 3.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.49 ' OE1' ' O ' ' A' ' 22' ' ' ASN . 1.0 OUTLIER -85.26 154.2 22.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.528 0.781 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.5 t -140.04 39.67 1.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.429 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.536 ' ND2' ' HG2' ' A' ' 55' ' ' ARG . 7.8 m120 -149.69 151.09 33.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.497 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 3.7 m -135.36 143.06 45.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 108.298 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.554 ' CE2' ' HD3' ' A' ' 43' ' ' PRO . 14.0 p90 -138.99 157.53 45.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.402 1.064 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -122.93 149.79 43.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -143.33 139.69 30.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 15.6 p90 -150.12 158.1 43.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.463 ' CZ2' HG21 ' A' ' 35' ' ' ILE . 11.3 p90 -161.52 132.65 5.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.032 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -87.81 134.71 33.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.943 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 33' ' ' GLY . 0.6 OUTLIER -100.17 -166.62 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.594 1.184 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -45.86 -66.78 0.35 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.554 1.159 . . . . 0.0 109.513 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.545 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -133.04 56.04 1.87 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.547 1.154 . . . . 0.0 110.274 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.534 ' N ' ' OD1' ' A' ' 30' ' ' ASP . . . -172.39 -172.88 38.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 m -154.82 119.32 4.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 0.734 . . . . 0.0 110.427 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.463 HG21 ' CZ2' ' A' ' 28' ' ' TRP . 30.6 mm -99.85 136.63 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.656 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.7 mp -130.65 150.67 34.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.45 1.094 . . . . 0.0 109.385 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.48 143.09 17.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.656 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 2.1 mpt_? -138.15 158.25 44.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.157 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.65 -175.48 47.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.434 1.084 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 18.7 m -88.61 167.63 13.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.73 -162.8 23.35 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.2 t -161.16 90.38 1.56 Allowed Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.554 ' HD3' ' CE2' ' A' ' 24' ' ' TYR . 18.5 Cg_endo -74.93 176.55 9.74 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.603 1.843 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.93 133.31 34.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.528 ' CA ' HD23 ' A' ' 51' ' ' LEU . 6.5 p -79.3 108.55 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.7 158.87 50.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 126.96 10.34 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.49 1.784 . . . . 0.0 111.061 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.64 -33.01 6.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 64.2 t -102.72 136.86 33.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 0.773 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -89.02 132.81 34.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.528 HD23 ' CA ' ' A' ' 45' ' ' VAL . 4.9 tp -150.32 138.69 20.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -139.62 137.12 35.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 86.4 m -110.88 144.4 39.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 108.32 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.81 161.69 42.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 108.286 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.536 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 1.7 mtt180 -114.08 21.07 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.361 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.496 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -100.01 146.34 26.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.172 . . . . 0.0 110.376 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.58 135.48 57.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.644 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 3.2 ttm180 48.68 30.87 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.496 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 15.1 p -72.05 -22.02 61.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 108.323 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.497 ' ND2' ' HB3' ' A' ' 23' ' ' CYS . 8.8 p30 -91.69 85.98 5.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.744 ' HB3' ' CD2' ' A' ' 4' ' ' HIS . 19.3 p-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.508 HD13 ' HB ' ' A' ' 21' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.6 ' HG2' HG22 ' A' ' 14' ' ' THR . 7.6 tt0 -105.9 112.7 25.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.173 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 86.3 m -106.78 152.52 23.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 108.269 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.584 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 12.6 m-70 -68.47 157.61 35.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.625 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.521 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 1.8 p30 -123.92 -37.77 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.526 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -33.75 144.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.314 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.557 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 1.2 tm0? -122.95 144.76 49.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.354 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 36' ' ' ILE . 1.6 m 64.52 -95.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 110.044 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.5 p -134.6 33.18 3.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.985 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.557 ' NE2' ' O ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -62.98 179.13 0.32 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.526 ' O ' ' HB3' ' A' ' 6' ' ' GLN . 18.1 Cg_endo -74.97 174.35 12.93 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.483 1.781 . . . . 0.0 111.058 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 85.04 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.521 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 1.9 p -114.43 141.2 47.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.447 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.6 HG22 ' HG2' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -131.55 168.26 17.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.25 145.07 9.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.7 m -77.4 128.45 34.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.449 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.5 m -90.63 167.9 12.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 0.0 108.202 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 p -129.38 137.83 51.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.027 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.65 -50.09 2.11 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' OE1' ' N ' ' A' ' 21' ' ' THR . 6.8 tp10 -87.12 139.34 30.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 0.79 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.508 ' HB ' HD13 ' A' ' 1' ' ' LEU . 65.5 p -127.43 42.96 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.378 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.462 ' ND2' ' C ' ' A' ' 21' ' ' THR . 2.2 m-80 -146.21 160.36 42.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.216 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.507 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 1.1 m -140.15 143.09 35.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 108.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.576 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 30.4 p90 -138.06 159.38 42.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.529 ' CD ' ' HA ' ' A' ' 60' ' ' ASN . 2.5 mttp -114.63 146.44 40.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -143.26 128.14 18.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.532 ' CE2' ' HB3' ' A' ' 50' ' ' ASN . 17.6 p90 -150.76 162.01 41.55 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.438 ' HB3' HG13 ' A' ' 49' ' ' VAL . 19.1 p90 -157.37 131.25 8.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 107.992 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.5 p -81.9 134.24 35.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.983 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.422 ' OD2' ' HA3' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -101.3 -169.6 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 109.194 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -46.31 -62.86 1.17 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.388 1.055 . . . . 0.0 109.568 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.544 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -135.62 54.3 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.422 ' HA3' ' OD2' ' A' ' 30' ' ' ASP . . . -171.22 -179.13 42.16 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.597 1.185 . . . . 0.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.8 m -150.24 121.71 7.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 0.725 . . . . 0.0 110.42 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.8 mt -99.87 132.62 45.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.347 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.585 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 1.8 mp -125.84 152.31 32.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -160.85 154.56 22.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.585 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 1.9 mpt_? -140.61 154.95 46.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.39 -175.65 38.74 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 1.173 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.3 m -97.49 156.49 16.47 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.15 -159.78 19.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.6 t -158.91 96.75 1.72 Allowed Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.581 ' HG2' HD11 ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.98 179.58 5.95 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.46 1.769 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.72 131.85 34.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.245 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.472 ' O ' HG23 ' A' ' 45' ' ' VAL . 30.5 m -79.5 112.56 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.43 152.58 37.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 131.35 14.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.566 1.824 . . . . 0.0 110.978 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.32 -35.01 5.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.438 HG13 ' HB3' ' A' ' 28' ' ' TRP . 96.4 t -104.67 144.02 15.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.532 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 74.9 m-20 -89.81 136.4 33.06 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.581 HD11 ' HG2' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -155.52 141.71 18.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 24' ' ' TYR . 18.5 t-20 -137.67 141.63 41.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 54.2 m -116.67 144.95 43.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 108.318 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -153.44 161.14 42.57 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 0.0 108.279 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -118.57 19.76 13.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.477 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -103.87 146.06 29.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.407 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -63.62 141.52 58.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.584 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 33.8 mtp180 48.45 24.27 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.23 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.477 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 19.7 p -69.47 -24.97 63.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.608 1.193 . . . . 0.0 108.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.535 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 18.3 p-10 -94.05 81.73 4.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 1.302 ' OXT' ' ND2' ' A' ' 61' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.51 ' CD2' ' SG ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -98.4 112.13 24.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.647 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 75.3 m -110.84 162.74 14.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 108.277 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.55 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 0.8 OUTLIER -68.63 164.44 21.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.628 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -127.34 -45.54 1.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.572 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -38.76 145.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 110.191 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.416 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -120.19 153.12 36.72 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m 58.14 -96.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 110.012 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 p -133.5 43.09 2.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.005 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.547 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 1.0 OUTLIER -74.78 178.37 1.78 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.572 ' O ' ' HB3' ' A' ' 6' ' ' GLN . 18.5 Cg_endo -74.91 174.5 12.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.544 1.812 . . . . 0.0 111.039 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 105.01 2.0 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.559 1.82 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 p -140.02 141.77 36.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -130.56 173.97 10.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.423 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.62 147.2 6.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 m -84.07 127.96 34.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.403 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.7 m -91.52 158.25 16.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 108.269 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.8 p -108.81 153.41 23.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.939 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 39.75 29.94 0.19 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -152.0 127.83 10.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.2 t -127.24 47.77 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.384 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -143.11 160.86 39.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.51 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 79.5 m -134.7 139.47 45.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 108.314 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.56 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 2.2 p90 -139.12 160.02 40.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.528 ' CE ' ' O ' ' A' ' 59' ' ' CYS . 1.0 OUTLIER -134.08 141.7 47.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.488 ' HB3' HD23 ' A' ' 51' ' ' LEU . 3.6 ptmt -142.62 128.71 19.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.1 p90 -146.83 162.4 38.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 108.037 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 7.6 p90 -159.37 133.35 7.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -84.37 144.21 28.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.962 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 33' ' ' GLY . 2.1 p30 -109.85 -167.77 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -44.93 -67.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.644 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.524 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -133.23 56.5 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.497 ' N ' ' OD1' ' A' ' 30' ' ' ASP . . . -170.04 -174.06 37.93 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.2 m -156.4 118.94 4.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 0.772 . . . . 0.0 110.399 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.3 mm -101.02 132.3 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.248 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.7 mp -119.34 150.79 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.262 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.412 ' HA ' ' OE1' ' A' ' 37' ' ' GLU . 5.7 tp10 -149.42 153.77 37.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 1.028 ' NH2' ' HA ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -144.39 164.0 32.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 179.39 -171.36 43.17 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.461 1.1 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.647 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 43.1 m -107.97 155.18 20.62 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.58 -160.73 18.92 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.456 1.097 . . . . 0.0 111.037 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.8 t -150.24 92.12 4.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 177.87 8.03 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.496 1.787 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -84.07 132.96 34.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.145 . . . . 0.0 109.246 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.625 ' HB ' HD12 ' A' ' 51' ' ' LEU . 2.7 p -79.39 113.37 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.95 153.39 39.9 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 136.78 20.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.451 1.763 . . . . 0.0 111.047 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.67 -21.96 43.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.556 1.16 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 86.6 t -116.66 142.29 31.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.437 0.728 . . . . 0.0 109.299 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.48 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -86.39 132.35 33.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.639 HD22 ' N ' ' A' ' 52' ' ' ASN . 2.1 tm? -147.58 132.34 17.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.222 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.639 ' N ' HD22 ' A' ' 51' ' ' LEU . 37.6 t-20 -133.27 146.88 51.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.243 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 64.1 m -117.83 144.66 45.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.105 . . . . 0.0 108.373 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.8 p -158.12 165.01 36.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.565 1.166 . . . . 0.0 108.358 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -124.46 25.51 7.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 0.9 OUTLIER -104.09 145.3 30.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.486 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.3 136.15 51.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.55 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER 58.98 19.38 7.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.254 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.528 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 1.4 p -69.74 -10.41 58.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 108.226 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.512 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -90.33 82.15 5.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 1.028 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 35.0 p-10 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.476 ' HG3' ' CG2' ' A' ' 14' ' ' THR . 1.8 pt-20 -100.43 130.18 46.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.416 ' SG ' ' OD1' ' A' ' 60' ' ' ASN . 1.7 m -128.57 167.96 16.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 108.357 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.637 ' CD2' ' CG ' ' A' ' 58' ' ' ARG . 27.7 m-70 -71.63 154.3 41.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.074 . . . . 0.0 109.524 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.516 ' OD1' ' OG1' ' A' ' 13' ' ' THR . 1.9 p30 -119.64 -35.17 3.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.51 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 0.9 OUTLIER -45.71 150.49 0.51 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.423 1.077 . . . . 0.0 110.235 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -130.4 157.21 43.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.26 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.515 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.7 m 60.62 -97.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.2 m -134.64 40.08 2.98 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.495 ' HB3' ' CB ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -73.18 176.89 2.25 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.488 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -75.1 171.11 18.95 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.506 1.793 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.51 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 18.4 Cg_endo -74.99 99.25 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.449 1.763 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.516 ' OG1' ' OD1' ' A' ' 5' ' ' ASN . 1.6 p -130.28 140.72 50.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.4 1.063 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.476 ' CG2' ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -136.96 164.19 28.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 110.42 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 4.7 pttp -163.03 153.37 16.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 m -86.8 124.37 32.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 55.8 m -86.73 150.03 24.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 108.283 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.94 146.35 45.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 0.0 109.963 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.06 -50.2 4.13 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.456 ' OE2' ' N ' ' A' ' 21' ' ' THR . 6.9 tp10 -91.44 133.29 35.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 0.725 . . . . 0.0 110.298 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.456 ' N ' ' OE2' ' A' ' 20' ' ' GLU . 72.6 p -116.33 44.01 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.375 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.403 ' ND2' ' C ' ' A' ' 21' ' ' THR . 4.9 m-80 -148.69 169.43 20.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 87.5 m -148.03 146.42 28.88 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.495 1.122 . . . . 0.0 108.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.591 ' CG ' ' CD ' ' A' ' 43' ' ' PRO . 18.5 p90 -140.59 155.28 46.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.78 143.09 49.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.506 ' HB3' HD23 ' A' ' 51' ' ' LEU . 6.0 ptmt -138.93 141.87 38.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 16.2 p90 -150.55 159.79 44.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.168 . . . . 0.0 107.993 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.928 ' CZ2' HG21 ' A' ' 35' ' ' ILE . 11.3 p90 -159.33 138.26 11.02 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 p -91.81 137.57 32.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.969 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.44 ' OD2' ' C ' ' A' ' 33' ' ' GLY . 4.0 p30 -97.62 -167.22 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -47.71 -62.79 1.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.578 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -135.23 54.36 1.93 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.477 1.111 . . . . 0.0 110.363 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.44 ' C ' ' OD2' ' A' ' 30' ' ' ASP . . . -167.85 -179.66 40.62 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.456 1.098 . . . . 0.0 110.993 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.0 m -140.89 119.41 12.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 0.72 . . . . 0.0 110.423 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.928 HG21 ' CZ2' ' A' ' 28' ' ' TRP . 4.6 mp -96.67 141.5 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 8' ' ' SER . 77.4 mt -126.17 150.8 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 38' ' ' ARG . 3.2 tp10 -154.65 144.2 21.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.517 ' HG2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -141.17 165.06 28.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.42 -175.47 47.44 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 4.6 m -105.44 155.28 19.29 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.41 -159.53 19.24 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 49.7 t -147.74 89.3 5.39 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.591 ' CD ' ' CG ' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -75.02 173.31 14.74 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.436 1.756 . . . . 0.0 110.999 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -84.61 137.62 33.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.162 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.405 HG12 ' H ' ' A' ' 45' ' ' VAL . 3.0 p -79.3 112.61 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.205 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -86.87 156.76 55.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 124.84 8.92 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.62 -37.95 3.57 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.453 1.096 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 69.4 t -98.48 139.79 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.36 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.8 OUTLIER -84.15 132.41 34.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.531 ' C ' HD13 ' A' ' 51' ' ' LEU . 3.3 tm? -141.23 132.9 27.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.438 ' N ' HD13 ' A' ' 51' ' ' LEU . 5.7 t-20 -134.9 140.41 45.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 61.2 m -110.19 145.48 37.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 108.354 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' CYS . 1.5 p -158.63 160.37 36.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 108.352 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -124.84 24.25 7.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.501 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 1.2 p -101.26 147.63 26.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.601 1.188 . . . . 0.0 110.381 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.81 130.42 43.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.637 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 9.8 ttp-105 62.41 29.59 17.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.363 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.501 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.5 p -73.44 -6.58 47.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 108.268 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.517 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -93.52 82.97 4.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.689 ' OXT' ' CG ' ' A' ' 61' ' ' ASN . 24.7 p-10 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.453 ' CD2' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.516 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 5.4 tt0 -97.97 119.2 36.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.453 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 71.9 m -121.18 161.03 22.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 108.258 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.622 ' CE1' ' HD3' ' A' ' 58' ' ' ARG . 72.6 m-70 -70.72 153.97 42.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.627 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.513 ' OD1' ' OG1' ' A' ' 13' ' ' THR . 3.2 p30 -122.62 -35.4 3.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.409 1.068 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.517 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 1.8 pt20 -47.52 152.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 110.238 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.417 ' CG ' ' OE1' ' A' ' 37' ' ' GLU . 25.7 mt-30 -137.01 157.67 46.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.469 ' CA ' ' HB ' ' A' ' 36' ' ' ILE . 1.6 m 65.07 -96.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.946 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.8 p -137.06 33.95 2.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.034 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.472 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.2 mt-30 -69.42 175.55 2.12 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -75.03 171.38 18.44 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.422 1.749 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.517 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 18.0 Cg_endo -75.05 91.18 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.801 . . . . 0.0 110.949 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.513 ' OG1' ' OD1' ' A' ' 5' ' ' ASN . 1.6 p -120.35 140.75 50.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.405 HG21 ' HG3' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -128.69 166.91 18.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.443 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -156.31 155.37 32.15 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.7 m -93.86 126.48 39.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.1 m -98.25 151.26 20.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 108.281 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -126.61 144.44 50.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.454 1.096 . . . . 0.0 110.006 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.63 -41.01 3.07 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.448 ' OE2' ' ND2' ' A' ' 22' ' ' ASN . 6.3 tp10 -110.84 126.64 54.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 0.736 . . . . 0.0 110.269 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.464 ' C ' ' ND2' ' A' ' 22' ' ' ASN . 68.6 p -106.35 41.17 1.47 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.398 1.061 . . . . 0.0 110.43 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.464 ' ND2' ' C ' ' A' ' 21' ' ' THR . 3.4 m-80 -149.7 161.55 41.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.07 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 41.9 m -150.59 156.21 40.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.392 1.057 . . . . 0.0 108.312 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.582 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 26.5 p90 -140.27 161.14 38.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 0.0 111.041 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -127.66 153.47 46.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 2.4 ptpt -150.38 142.14 23.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.64 ' HB2' HD13 ' A' ' 36' ' ' ILE . 20.3 p90 -150.72 159.72 44.33 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.675 ' CZ2' HG21 ' A' ' 35' ' ' ILE . 15.5 p90 -160.15 132.8 6.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.057 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.8 p -84.66 152.85 23.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 110.006 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 32' ' ' ARG . 2.3 p30 -115.35 -161.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.06 -66.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.569 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.536 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 5.8 ttt180 -135.04 54.3 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.213 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.404 ' N ' ' OD1' ' A' ' 30' ' ' ASP . . . -166.25 -175.65 36.77 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.2 m -145.73 122.19 11.02 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.482 0.754 . . . . 0.0 110.389 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.675 HG21 ' CZ2' ' A' ' 28' ' ' TRP . 46.7 mm -99.19 140.73 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.64 HD13 ' HB2' ' A' ' 27' ' ' TRP . 8.7 mm -127.76 150.8 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 109.354 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.417 ' OE1' ' CG ' ' A' ' 7' ' ' GLN . 49.9 tp10 -157.29 140.72 15.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.349 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.631 ' CZ ' ' HA ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -141.09 160.54 39.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.87 -176.59 43.31 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 2.2 m -98.9 154.78 17.79 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.47 -165.82 19.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.556 1.16 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 50.3 t -151.44 87.69 4.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.582 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.2 Cg_endo -75.02 -178.95 4.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.575 1.829 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.73 125.62 31.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.841 HG23 ' HB3' ' A' ' 51' ' ' LEU . 14.4 p -78.37 113.46 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.375 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.26 153.59 46.57 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 137.59 21.79 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.433 1.754 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.04 -30.29 9.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.48 HG13 ' HB3' ' A' ' 28' ' ' TRP . 51.1 t -111.26 146.51 16.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.536 0.786 . . . . 0.0 109.34 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.463 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 76.8 m-20 -87.49 132.02 34.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.362 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.841 ' HB3' HG23 ' A' ' 45' ' ' VAL . 6.4 tt -153.03 138.37 17.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 0.0 109.392 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.691 ' N ' HD23 ' A' ' 51' ' ' LEU . 35.2 t-20 -137.49 139.32 40.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 21.8 m -109.4 143.77 38.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 108.279 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 p -156.74 163.91 38.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 108.246 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.1 mtt180 -121.81 17.63 11.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.438 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -99.71 148.97 23.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 2.3 m-20 -63.4 141.57 58.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.622 ' HD3' ' CE1' ' A' ' 4' ' ' HIS . 0.7 OUTLIER 48.02 24.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.362 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.438 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 15.5 p -72.11 -27.22 62.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 108.315 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.448 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 35.9 p30 -94.99 84.39 4.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 1.084 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 10.7 p30 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.834 HD13 ' CA ' ' A' ' 21' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.515 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 12.8 pt-20 -101.58 118.7 37.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.459 ' C ' ' CG2' ' A' ' 14' ' ' THR . 64.9 m -103.97 153.07 21.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 108.328 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.572 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 7.9 m-70 -68.24 153.9 42.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.686 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.552 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 0.6 OUTLIER -121.88 -40.7 2.5 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.466 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -38.76 146.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.298 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.498 ' CG ' ' HG2' ' A' ' 37' ' ' GLU . 10.6 tm0? -121.95 148.77 44.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.357 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.557 ' N ' ' O ' ' A' ' 36' ' ' ILE . 1.8 m 63.55 -97.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.016 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.98 33.31 3.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.557 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 1.0 OUTLIER -63.01 178.94 0.33 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.406 1.066 . . . . 0.0 110.327 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.557 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -74.97 172.33 16.58 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.553 1.818 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 104.61 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.554 1.818 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.552 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 1.4 p -138.74 142.87 38.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.418 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.459 ' CG2' ' C ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -138.94 169.93 16.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.422 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -161.27 142.22 11.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m -67.3 130.78 44.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.602 1.189 . . . . 0.0 110.388 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.1 m -95.33 173.22 7.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 108.302 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' GLU . 73.4 p -60.25 -157.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.051 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.3 57.41 0.44 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.471 1.107 . . . . 0.0 111.07 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.439 ' HG2' ' N ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -139.48 139.6 37.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.293 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.834 ' CA ' HD13 ' A' ' 1' ' ' LEU . 22.4 p -121.3 52.79 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.472 ' ND2' ' C ' ' A' ' 21' ' ' THR . 4.4 m-80 -152.74 156.9 40.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.484 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 8.9 m -144.92 155.39 43.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 108.294 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.613 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 4.7 p90 -133.98 160.47 37.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.511 ' O ' HD12 ' A' ' 51' ' ' LEU . 5.6 mttp -123.4 155.15 37.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 12.4 ptpt -148.56 131.86 16.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.548 ' CE2' ' HB3' ' A' ' 50' ' ' ASN . 34.3 p90 -150.57 161.11 43.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 107.976 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.674 ' CH2' HG21 ' A' ' 35' ' ' ILE . 15.8 p90 -159.78 141.09 12.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 108.0 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 76.1 p -91.15 146.89 23.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.411 ' OD2' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -115.86 -170.79 1.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 109.295 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.42 -61.14 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.639 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.75 55.61 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.411 ' HA3' ' OD2' ' A' ' 30' ' ' ASP . . . -174.74 -176.84 43.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 m -153.89 122.29 6.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.802 . . . . 0.0 110.361 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.674 HG21 ' CH2' ' A' ' 28' ' ' TRP . 3.8 mp -98.49 135.21 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.557 ' O ' ' N ' ' A' ' 8' ' ' SER . 2.0 mt -126.16 151.14 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.498 ' HG2' ' CG ' ' A' ' 7' ' ' GLN . 9.2 tm-20 -162.53 147.77 12.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.812 ' NH2' ' O ' ' A' ' 61' ' ' ASN . 2.0 mpt_? -120.11 170.89 8.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.474 ' HA3' ' CZ ' ' A' ' 24' ' ' TYR . . . -169.68 -179.92 41.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -108.71 149.92 28.31 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.71 -162.28 21.3 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.1 t -147.35 89.83 5.41 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.613 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -74.96 -179.97 5.5 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.418 1.746 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -83.82 140.18 32.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.471 ' O ' HG23 ' A' ' 45' ' ' VAL . 26.2 m -78.65 113.96 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.35 151.75 38.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.42 34.01 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.469 1.773 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.8 -7.5 62.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 110.947 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.1 t -129.72 140.02 50.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.548 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 1.5 m120 -88.54 130.32 35.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.511 HD12 ' O ' ' A' ' 25' ' ' LYS . 18.4 tp -137.96 138.8 39.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.457 ' CG ' ' NZ ' ' A' ' 25' ' ' LYS . 14.0 t-20 -129.44 146.75 51.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.2 m -128.99 140.75 51.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.256 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -153.45 162.58 41.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 108.262 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -121.11 19.86 11.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.431 ' O ' ' SG ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -107.56 145.28 33.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.382 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -64.0 143.06 58.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.572 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 0.1 OUTLIER 48.49 25.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 56' ' ' THR . 29.7 p -68.24 -28.76 67.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 108.309 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.556 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 15.3 p30 -89.53 89.23 7.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.364 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.812 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 13.7 t30 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.225 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.785 HD13 ' CA ' ' A' ' 21' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.662 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 13.6 pt-20 -96.27 120.7 37.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.61 1.194 . . . . 0.0 110.301 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.184 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 72.2 m -106.91 162.23 14.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 108.294 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.597 ' CD2' ' HG3' ' A' ' 58' ' ' ARG . 1.0 OUTLIER -67.5 160.57 27.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.601 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -130.31 -46.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.567 ' NE2' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -39.33 148.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.453 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 8.7 tm0? -127.03 151.15 48.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.353 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m 62.46 -96.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 p -135.78 39.12 2.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.953 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.538 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.3 OUTLIER -71.95 177.61 1.64 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.567 ' O ' ' NE2' ' A' ' 6' ' ' GLN . 18.2 Cg_endo -74.89 174.6 12.47 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.504 1.792 . . . . 0.0 110.963 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 106.58 2.3 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.566 1.824 . . . . 0.0 110.99 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.2 p -141.42 139.93 33.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.643 HG21 ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -129.5 174.75 9.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.439 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.12 140.44 7.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 22.0 m -75.71 133.38 40.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.395 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.8 m -97.88 156.0 16.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 108.247 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 19' ' ' GLY . 3.7 t -103.59 150.48 23.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' SER . . . 34.84 42.9 0.37 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' A' ' 41' ' ' GLY . 1.0 OUTLIER -161.4 140.8 10.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 110.313 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.785 ' CA ' HD13 ' A' ' 1' ' ' LEU . 23.2 p -137.98 47.81 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.502 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.525 ' ND2' ' HG2' ' A' ' 55' ' ' ARG . 8.8 m120 -149.83 152.95 35.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.5 m -145.93 150.74 36.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 108.311 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.599 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 15.9 p90 -139.89 156.28 46.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.447 1.092 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HD2' ' H ' ' A' ' 61' ' ' ASN . 1.7 pttm -128.01 143.69 51.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 10.7 ptmt -139.6 148.05 41.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.403 1.064 . . . . 0.0 109.369 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.46 ' HB2' HD13 ' A' ' 36' ' ' ILE . 17.1 p90 -150.46 159.18 44.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 108.01 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 7.7 p90 -160.89 131.26 5.18 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.0 p -82.89 149.95 26.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.449 ' OD1' ' C ' ' A' ' 33' ' ' GLY . 4.9 p-10 -113.18 -163.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -47.52 -61.6 1.84 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.594 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.35 57.27 1.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.349 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.449 ' C ' ' OD1' ' A' ' 30' ' ' ASP . . . -172.03 -173.16 38.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.452 HG22 HD11 ' A' ' 36' ' ' ILE . 3.0 m -149.35 119.88 7.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 0.741 . . . . 0.0 110.442 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.41 ' O ' HD13 ' A' ' 36' ' ' ILE . 4.1 mt -99.81 141.13 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.46 HD13 ' HB2' ' A' ' 27' ' ' TRP . 4.9 mm -124.02 151.56 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.407 ' OE2' ' O ' ' A' ' 38' ' ' ARG . 30.5 tp10 -153.44 141.44 20.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 110.238 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -140.83 162.49 35.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.351 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -178.8 -178.0 47.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 1.184 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.9 OUTLIER -94.76 171.7 8.62 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.506 ' N ' ' OE1' ' A' ' 20' ' ' GLU . . . 81.75 -160.5 41.29 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.436 1.085 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.4 t -153.74 90.27 3.37 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.599 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -74.94 178.89 6.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.559 1.82 . . . . 0.0 111.041 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.93 127.55 33.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.732 HG23 ' HB3' ' A' ' 51' ' ' LEU . 10.0 p -78.92 114.88 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.383 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -91.57 157.46 41.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.578 1.174 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 135.28 18.73 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.472 1.775 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.8 -29.52 11.19 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.475 1.109 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 74.6 t -110.67 141.56 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.431 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 81.5 m-20 -88.66 131.1 35.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.732 ' HB3' HG23 ' A' ' 45' ' ' VAL . 8.2 tp -150.65 131.3 13.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.565 ' N ' HD12 ' A' ' 51' ' ' LEU . 5.9 t-20 -129.77 133.85 47.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.8 m -106.09 142.31 36.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 108.293 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.95 159.58 44.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 108.3 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.525 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 14.5 mtp180 -108.69 16.25 23.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.262 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.475 ' O ' ' SG ' ' A' ' 59' ' ' CYS . 1.2 p -103.11 143.1 33.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 110.368 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 1.9 m-20 -65.56 145.76 55.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.597 ' HG3' ' CD2' ' A' ' 4' ' ' HIS . 4.9 ttp180 49.15 22.33 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.475 ' SG ' ' O ' ' A' ' 56' ' ' THR . 15.4 p -72.68 -22.18 60.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.491 1.119 . . . . 0.0 108.401 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 7.2 p-10 -89.87 90.75 8.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 1.274 ' OXT' ' ND2' ' A' ' 61' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.521 ' CD2' ' SG ' ' A' ' 23' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.488 ' CB ' ' OD1' ' A' ' 57' ' ' ASP . 1.7 tt0 -94.31 114.3 26.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.259 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 71.9 m -102.52 159.18 15.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.453 1.096 . . . . 0.0 108.34 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.656 ' CD2' ' CG ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -68.94 165.21 20.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.597 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -127.86 -46.62 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.549 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -38.31 144.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.341 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.435 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -120.64 153.78 36.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m 57.41 -95.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 p -135.01 42.53 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.55 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -73.57 178.47 1.54 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.55 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.0 Cg_endo -75.09 175.15 11.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.456 1.767 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 105.21 2.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.518 1.799 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.4 p -141.48 139.39 33.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.378 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 3' ' ' CYS . 0.7 OUTLIER -132.38 170.78 14.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.553 1.158 . . . . 0.0 110.364 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -157.33 156.26 32.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -81.59 137.92 35.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 33.4 m -90.29 167.97 12.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 108.329 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -83.25 -161.61 0.52 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.018 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -38.4 -28.46 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.102 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.516 ' OE2' ' CA ' ' A' ' 41' ' ' GLY . 2.6 tt0 -78.37 133.26 37.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 0.0 110.229 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 21' ' ' THR . 10.1 t -121.05 72.25 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -147.6 160.99 42.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.521 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 99.3 m -141.7 140.16 33.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.534 1.146 . . . . 0.0 108.293 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.58 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 1.7 p90 -140.13 156.63 46.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.777 ' O ' HD12 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -131.03 141.86 50.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -140.35 131.81 26.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.512 ' CE2' ' HB3' ' A' ' 50' ' ' ASN . 23.9 p90 -142.51 159.3 42.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 107.992 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.5 p90 -160.6 133.89 6.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 108.003 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.9 p -87.5 138.21 31.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.045 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.427 ' OD2' ' HA3' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -101.49 -170.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 109.283 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.8 -61.22 2.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.556 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.54 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 1.9 ttp-105 -134.78 56.48 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.347 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.427 ' HA3' ' OD2' ' A' ' 30' ' ' ASP . . . -177.45 -176.91 45.9 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.2 m -152.72 119.87 5.85 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.534 0.785 . . . . 0.0 110.438 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.8 mm -100.15 140.45 19.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.589 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.5 mp -125.82 150.31 31.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.39 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.417 ' HG2' ' CG ' ' A' ' 7' ' ' GLN . 4.7 tm-20 -149.76 148.64 29.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.589 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 2.1 mpt_? -144.65 161.3 39.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.62 -178.37 48.38 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.471 ' O ' ' CE2' ' A' ' 24' ' ' TYR . 6.8 m -86.62 168.0 14.03 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.516 ' CA ' ' OE2' ' A' ' 20' ' ' GLU . . . 82.16 -160.25 40.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.546 1.154 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.17 100.13 1.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.574 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -74.97 -178.3 4.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.525 1.802 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.95 136.73 35.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 45' ' ' VAL . 13.9 m -79.03 113.41 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.74 151.91 37.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 140.01 24.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.6 -15.5 61.89 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.5 t -124.3 147.91 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.409 0.711 . . . . 0.0 109.253 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.512 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 63.4 m-80 -94.89 132.18 39.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.777 HD12 ' O ' ' A' ' 25' ' ' LYS . 34.6 tp -145.06 142.43 29.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.482 ' H ' HD12 ' A' ' 51' ' ' LEU . 11.4 t-20 -132.09 149.21 52.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.2 m -121.68 139.72 53.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.413 ' SG ' ' HE3' ' A' ' 25' ' ' LYS . 5.1 p -160.74 166.12 29.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 108.271 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -129.35 29.22 5.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.474 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -102.37 148.37 25.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.373 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.488 ' OD1' ' CB ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -66.27 131.3 45.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.241 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.656 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 43.9 ttp85 55.45 28.69 12.0 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.537 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 1.7 p -71.43 -12.66 61.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 108.308 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.547 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -89.17 87.45 7.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.405 ' OXT' ' CG ' ' A' ' 61' ' ' ASN . 15.7 p-10 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.758 HD13 ' HA ' ' A' ' 21' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -91.55 119.62 31.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.679 ' SG ' HD23 ' A' ' 1' ' ' LEU . 70.8 m -125.95 169.92 12.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.316 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.629 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 56.0 m-70 -71.48 158.8 35.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.546 1.154 . . . . 0.0 109.598 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.562 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 1.4 p30 -128.28 -40.13 1.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.537 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 1.5 pt20 -40.17 152.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.464 ' HG2' ' N ' ' A' ' 8' ' ' SER . 39.1 tt0 -130.13 149.45 51.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.464 ' N ' ' HG2' ' A' ' 7' ' ' GLN . 1.7 m 67.05 -97.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.028 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.67 30.04 3.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.518 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -62.05 178.79 0.3 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.518 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -75.02 170.59 20.07 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.537 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 18.2 Cg_endo -75.01 94.61 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.562 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 1.1 p -124.8 144.53 50.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.379 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 3' ' ' CYS . 0.4 OUTLIER -127.36 175.03 8.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -166.24 146.47 6.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -91.89 129.25 37.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.347 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.6 m -92.74 160.13 15.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 108.262 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.8 m -111.63 145.64 38.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 110.049 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 43.88 28.21 1.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.555 1.16 . . . . 0.0 111.037 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.412 ' OE1' ' HA ' ' A' ' 20' ' ' GLU . 5.6 tp10 -140.91 131.41 25.36 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.503 0.766 . . . . 0.0 110.386 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.758 ' HA ' HD13 ' A' ' 1' ' ' LEU . 6.3 t -128.98 38.7 3.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.47 HD21 ' NH2' ' A' ' 55' ' ' ARG . 7.6 m-80 -148.04 149.36 31.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.447 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 6.9 m -152.29 149.01 28.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 108.322 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.685 ' CD2' HD11 ' A' ' 51' ' ' LEU . 18.0 p90 -140.89 158.88 43.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.722 ' HD3' ' H ' ' A' ' 61' ' ' ASN . 4.8 pttp -124.8 142.38 51.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.519 ' HB3' HD12 ' A' ' 51' ' ' LEU . 1.3 ptpt -131.78 143.7 50.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 22.1 p90 -149.34 158.58 44.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 108.022 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.723 ' CZ2' HG21 ' A' ' 35' ' ' ILE . 30.8 p90 -160.82 134.7 6.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 108.042 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 m -84.24 137.55 33.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.465 1.103 . . . . 0.0 109.95 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.75 -170.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -48.05 -62.83 1.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.547 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.529 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 5.1 ttt180 -133.39 54.46 1.95 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.95 -172.59 42.56 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.1 m -149.93 124.68 9.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 0.735 . . . . 0.0 110.384 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.723 HG21 ' CZ2' ' A' ' 28' ' ' TRP . 94.6 mt -97.78 139.76 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.431 ' HB ' ' CA ' ' A' ' 8' ' ' SER . 5.7 mm -124.16 151.34 29.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -156.05 146.53 21.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.579 ' CZ ' ' HA ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -147.39 157.79 43.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.72 177.19 48.04 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.447 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.3 m -84.37 169.14 14.92 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.22 -169.05 37.54 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -161.77 79.66 2.03 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 177.29 8.8 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.501 1.79 . . . . 0.0 110.965 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.71 106.63 17.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.723 HG21 ' CB ' ' A' ' 51' ' ' LEU . 12.4 p -78.51 119.74 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.405 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.401 ' CE ' ' HD2' ' A' ' 47' ' ' PRO . 0.3 OUTLIER -77.36 170.52 15.93 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.401 ' HD2' ' CE ' ' A' ' 46' ' ' LYS . 18.3 Cg_endo -75.05 146.2 32.2 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.453 1.765 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.33 -31.84 7.31 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.564 1.165 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.408 HG13 ' HB3' ' A' ' 28' ' ' TRP . 58.8 t -112.05 151.15 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.781 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -96.52 140.22 31.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.723 ' CB ' HG21 ' A' ' 45' ' ' VAL . 8.5 tt -157.84 147.46 20.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.606 ' N ' HD23 ' A' ' 51' ' ' LEU . 46.7 t-20 -136.31 137.09 40.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.7 m -113.08 140.61 47.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 108.323 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -158.16 163.23 37.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 108.353 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.47 ' NH2' HD21 ' A' ' 22' ' ' ASN . 21.7 mtp85 -118.16 22.38 12.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.456 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -103.77 146.9 27.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.382 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.1 140.05 58.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.629 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 1.8 mtp-105 48.52 28.75 1.84 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.448 1.092 . . . . 0.0 110.268 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.456 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 13.0 p -81.39 -24.28 37.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 108.253 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.419 ' ND2' ' HB3' ' A' ' 23' ' ' CYS . 42.8 p-10 -94.76 84.71 4.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.722 ' H ' ' HD3' ' A' ' 25' ' ' LYS . 10.1 t-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.252 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.85 HD13 ' HA ' ' A' ' 21' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.579 ' HG3' HG22 ' A' ' 14' ' ' THR . 2.7 pt-20 -102.66 130.15 49.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.3 m -115.89 175.82 5.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 108.327 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.671 ' CD2' ' HB3' ' A' ' 61' ' ' ASN . 9.6 m-70 -66.93 169.19 8.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.561 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -131.12 -44.58 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.575 ' NE2' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -40.82 151.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.505 ' OE1' ' CB ' ' A' ' 8' ' ' SER . 1.6 tm0? -124.9 145.25 49.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.226 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.505 ' CB ' ' OE1' ' A' ' 7' ' ' GLN . 1.8 m 64.73 -97.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.031 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.9 m -133.61 35.37 3.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.068 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.557 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -66.95 -178.67 0.36 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.575 ' O ' ' NE2' ' A' ' 6' ' ' GLN . 18.2 Cg_endo -75.05 173.47 14.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.8 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 109.45 2.93 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.785 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.6 p -142.16 136.67 30.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.399 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.579 HG22 ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -126.73 164.4 21.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.44 168.76 7.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.7 m -71.02 137.29 48.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -84.91 172.61 11.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.587 1.18 . . . . 0.0 108.293 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' GLU . 5.8 m -73.14 -160.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.966 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.63 57.69 0.49 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.481 ' OE1' ' N ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -147.22 155.18 41.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 0.764 . . . . 0.0 110.29 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.85 ' HA ' HD13 ' A' ' 1' ' ' LEU . 2.5 t -117.92 28.66 8.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.441 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.603 HD21 HG23 ' A' ' 21' ' ' THR . 4.2 m-80 -152.15 158.46 42.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 90.5 m -146.1 155.54 42.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 108.269 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.559 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 27.5 p90 -138.1 160.9 38.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.508 ' CD ' ' HA ' ' A' ' 60' ' ' ASN . 1.0 OUTLIER -116.31 156.37 26.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -151.83 128.4 10.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.537 ' CE2' ' HB3' ' A' ' 50' ' ' ASN . 13.9 p90 -148.44 162.02 40.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.404 ' CZ2' HD13 ' A' ' 35' ' ' ILE . 13.4 p90 -158.55 138.35 12.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 108.039 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 m -83.68 143.85 29.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 32' ' ' ARG . 2.3 p30 -113.25 -162.6 0.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -49.81 -62.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.642 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.45 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 31.8 mtt180 -139.59 53.06 1.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.429 ' CA ' ' OD2' ' A' ' 30' ' ' ASP . . . -170.62 -174.29 38.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.6 m -153.84 126.24 8.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 110.351 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 27' ' ' TRP . 3.1 mt -100.39 137.52 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.402 ' HB ' ' O ' ' A' ' 8' ' ' SER . 19.4 mt -131.01 147.75 33.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.454 ' OE1' ' CG ' ' A' ' 7' ' ' GLN . 33.5 tp10 -157.98 149.23 21.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.715 ' NH2' ' HA ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -132.14 166.75 21.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.36 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.13 -179.07 47.31 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 3.5 m -90.05 175.73 7.06 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.422 ' HA2' ' CD ' ' A' ' 20' ' ' GLU . . . 76.07 -165.14 53.99 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 40.6 t -155.22 92.82 2.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.559 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -75.03 -179.24 4.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.446 1.761 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -83.22 133.69 35.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.528 HG12 HD22 ' A' ' 51' ' ' LEU . 32.7 m -79.13 113.54 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.085 . . . . 0.0 109.254 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.17 151.7 47.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.253 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 141.16 26.22 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.522 1.801 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.2 -32.59 5.82 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.576 1.172 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.2 t -102.09 142.49 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.537 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -85.34 133.75 34.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 109.284 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.528 HD22 HG12 ' A' ' 45' ' ' VAL . 3.6 tt -156.58 133.5 10.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 24' ' ' TYR . 12.4 t-20 -129.89 145.2 51.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.246 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.0 m -121.61 142.41 50.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 108.302 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.8 p -155.07 163.54 40.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 108.312 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.497 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 3.6 mtt85 -123.11 22.73 9.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.452 ' O ' ' SG ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -106.17 145.11 31.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 0.9 OUTLIER -60.93 139.71 57.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.336 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.667 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 40.9 ttp180 47.71 31.5 2.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 110.3 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 56' ' ' THR . 16.0 p -81.35 -22.67 38.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 108.334 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.508 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 39.9 p-10 -93.93 88.28 5.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.715 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 8.9 p-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.434 HD23 ' SG ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -94.9 118.97 32.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 14' ' ' THR . 56.4 m -128.77 169.6 14.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.308 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.606 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 92.9 m-70 -75.84 157.34 33.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.548 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 6' ' ' GLN . 1.3 p30 -119.89 -37.71 3.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.574 ' NE2' HH22 ' A' ' 38' ' ' ARG . 0.0 OUTLIER -36.57 149.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.091 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.431 ' HG2' ' N ' ' A' ' 8' ' ' SER . 34.9 tt0 -124.17 151.19 44.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.431 ' N ' ' HG2' ' A' ' 7' ' ' GLN . 1.7 m 62.32 -97.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.944 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 p -136.17 35.93 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.406 1.066 . . . . 0.0 110.021 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.556 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -66.71 -178.65 0.35 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.556 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.5 Cg_endo -74.98 170.42 20.45 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.537 1.809 . . . . 0.0 111.05 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.87 2.82 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.526 1.803 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.548 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 1.8 p -140.87 138.25 33.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.427 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -125.07 169.39 12.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 110.413 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.477 ' HZ3' ' C ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -167.46 149.83 5.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.477 ' C ' ' HZ3' ' A' ' 15' ' ' LYS . 19.0 m -87.32 132.12 34.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.398 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.408 ' SG ' ' NZ ' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -91.35 152.44 20.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 108.313 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.1 p -102.57 149.64 24.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.065 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 39.71 38.57 1.12 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.549 1.156 . . . . 0.0 111.033 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -157.3 135.97 11.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.418 ' C ' HD13 ' A' ' 1' ' ' LEU . 5.4 t -131.7 38.23 3.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.359 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -146.61 163.48 35.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.585 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 97.6 m -150.6 147.44 27.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 108.38 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.58 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 43.4 p90 -134.96 156.18 49.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.943 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.84 ' O ' HD22 ' A' ' 51' ' ' LEU . 7.8 mttm -109.5 148.91 30.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.458 ' HB3' HD23 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -147.72 127.97 13.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.428 1.08 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.575 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 22.8 p90 -151.32 159.84 44.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 107.989 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 9.4 p90 -160.28 143.24 13.49 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.0 p -80.18 137.58 36.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.945 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 32' ' ' ARG . 2.3 p30 -101.58 -161.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -49.73 -62.64 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.613 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.421 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 4.0 mtt180 -139.55 53.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.59 -175.14 40.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.602 1.189 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.568 HG22 HD11 ' A' ' 36' ' ' ILE . 4.2 m -136.62 123.56 21.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 0.8 . . . . 0.0 110.468 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.4 mt -95.52 133.26 37.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.568 HD11 HG22 ' A' ' 34' ' ' THR . 6.2 mm -119.38 147.75 22.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 38' ' ' ARG . 48.6 tp10 -161.49 156.55 23.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.574 HH22 ' NE2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -131.29 176.72 8.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.578 1.174 . . . . 0.0 110.239 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.513 ' HA3' ' CZ ' ' A' ' 24' ' ' TYR . . . -174.04 174.7 46.44 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.412 1.07 . . . . 0.0 111.05 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 69.0 m -104.6 148.27 26.71 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.86 -153.55 20.64 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 47.2 t -149.78 94.3 3.85 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.58 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 18.5 Cg_endo -74.95 178.64 6.97 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.23 137.35 33.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.707 HG12 HD12 ' A' ' 51' ' ' LEU . 17.0 m -78.99 113.4 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.09 153.26 37.86 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 146.78 33.35 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.485 1.782 . . . . 0.0 111.053 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.31 -10.16 64.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 66.3 t -129.67 139.16 52.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.486 0.757 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.575 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 57.6 m-80 -86.83 129.28 34.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.243 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.84 HD22 ' O ' ' A' ' 25' ' ' LYS . 2.9 tm? -137.52 133.77 34.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.416 ' N ' HD13 ' A' ' 51' ' ' LEU . 6.5 t-20 -132.47 149.12 52.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 55.0 m -125.1 142.42 51.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 108.29 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.9 p -154.63 164.41 38.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.598 1.186 . . . . 0.0 108.26 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -129.52 21.67 5.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.427 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -105.74 147.85 28.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 110.391 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.43 141.02 58.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.606 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 6.4 mtm180 49.85 25.95 1.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.427 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 19.9 p -71.46 -30.64 66.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 108.317 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.585 ' ND2' ' HB3' ' A' ' 23' ' ' CYS . 33.1 p30 -98.27 87.51 3.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.599 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . 36.7 t-20 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.493 HD13 ' CA ' ' A' ' 21' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.671 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 3.0 tt0 -97.4 120.2 37.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.352 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.578 ' O ' HG22 ' A' ' 14' ' ' THR . 94.1 m -121.32 160.81 23.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 108.284 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 22.9 m-70 -74.0 163.28 28.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.56 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' GLN . 1.3 m-20 -130.68 -43.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.547 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.2 OUTLIER -37.65 145.71 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.513 ' CG ' ' OE1' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -125.38 153.38 43.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.487 ' O ' HD13 ' A' ' 36' ' ' ILE . 1.6 m 58.69 -95.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 110.035 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.98 44.83 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 109.94 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.517 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.0 mt-30 -77.82 177.53 2.69 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.547 ' O ' ' HB3' ' A' ' 6' ' ' GLN . 18.2 Cg_endo -74.97 173.56 14.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 0.0 111.043 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 92.95 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 p -124.71 138.6 54.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -127.87 172.77 10.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.377 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -157.68 158.79 36.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.358 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.8 m -98.67 128.17 44.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.341 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.3 m -100.01 149.31 23.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 108.308 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.07 155.45 41.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.55 -48.5 3.68 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.586 1.178 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.564 ' OE2' ' N ' ' A' ' 41' ' ' GLY . 0.0 OUTLIER -114.71 141.42 47.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.528 ' N ' ' HG2' ' A' ' 20' ' ' GLU . 67.0 p -117.66 51.01 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.399 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.524 ' ND2' ' HG2' ' A' ' 55' ' ' ARG . 8.6 m120 -148.65 156.81 42.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.242 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 58.3 m -150.98 157.73 43.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 108.289 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.57 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 17.1 p90 -141.36 162.28 35.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.093 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -123.37 153.56 40.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 10.3 ptmt -150.52 136.16 18.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 18.3 p90 -150.14 162.36 40.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 108.027 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.0 p90 -160.08 134.77 7.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 107.99 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.6 p -89.53 143.8 26.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.597 1.185 . . . . 0.0 109.946 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 33' ' ' GLY . 1.1 p-10 -105.42 -170.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -47.53 -63.42 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.607 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.534 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 2.8 ttm180 -132.4 55.75 1.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -170.97 -177.06 40.61 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.2 m -154.13 118.44 4.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 0.0 110.364 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.1 mt -100.9 140.08 20.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.424 1.078 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.487 HD13 ' O ' ' A' ' 8' ' ' SER . 4.3 mp -123.54 150.29 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.513 ' OE1' ' CG ' ' A' ' 7' ' ' GLN . 7.0 tp10 -151.66 141.66 22.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.81 ' NH2' ' O ' ' A' ' 61' ' ' ASN . 1.8 mpt_? -147.72 153.84 39.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.24 -174.46 43.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.2 m -91.37 161.5 14.98 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.564 ' N ' ' OE2' ' A' ' 20' ' ' GLU . . . 101.33 -172.99 23.67 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.3 t -154.08 78.93 5.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.57 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -74.98 -179.71 5.25 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 111.045 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -83.72 137.71 33.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.611 HG23 ' HB3' ' A' ' 51' ' ' LEU . 13.9 p -78.36 113.06 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.18 160.55 65.28 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 149.31 36.24 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.47 1.773 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 71.08 4.08 54.45 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.7 t -130.18 138.94 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.786 . . . . 0.0 109.369 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.466 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -89.94 132.76 35.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.234 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.611 ' HB3' HG23 ' A' ' 45' ' ' VAL . 3.5 tt -151.82 137.65 18.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -138.54 138.12 37.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.3 m -107.28 145.19 33.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.428 1.08 . . . . 0.0 108.345 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -153.87 159.86 41.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 108.294 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.524 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 82.6 mtt180 -115.13 11.79 16.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.243 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.484 ' O ' ' SG ' ' A' ' 59' ' ' CYS . 1.4 p -98.93 143.51 29.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 110.404 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.671 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 11.9 m-20 -66.69 147.16 53.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.518 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 11.3 mtm180 51.6 19.95 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 110.36 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 56' ' ' THR . 16.6 p -71.02 -24.26 62.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 108.331 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.439 ' C ' ' HG2' ' A' ' 38' ' ' ARG . 23.9 p30 -98.33 78.49 2.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 1.034 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 4.4 t-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 21' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.592 ' HG3' HG21 ' A' ' 14' ' ' THR . 8.1 pt-20 -100.95 125.01 47.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.595 ' O ' HG22 ' A' ' 14' ' ' THR . 72.3 m -103.45 167.44 9.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 108.345 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.608 ' CD2' ' CG ' ' A' ' 58' ' ' ARG . 0.8 OUTLIER -69.13 167.34 16.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.61 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -130.11 -43.56 1.19 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.507 ' CB ' ' HB3' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -48.78 147.97 2.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.259 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -125.35 156.72 38.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.406 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 1.8 m 58.97 -97.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.917 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.63 42.09 2.85 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 110.065 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.542 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -75.29 177.6 2.26 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.542 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -74.99 174.5 12.67 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.499 1.789 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 107.08 2.4 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.554 1.818 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.8 p -142.1 138.98 32.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.409 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -132.92 172.07 13.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.65 155.78 7.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.353 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -64.18 136.09 56.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.409 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 3' ' ' CYS . 1.2 m -91.56 174.29 7.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 108.344 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 20' ' ' GLU . 5.5 t -82.76 -149.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.592 1.182 . . . . 0.0 109.984 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.36 57.12 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -136.77 158.23 44.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 0.803 . . . . 0.0 110.329 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.607 HG23 ' ND2' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -135.12 19.12 3.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.607 ' ND2' HG23 ' A' ' 21' ' ' THR . 1.7 m-80 -143.08 148.99 37.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.461 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 13.6 m -133.64 142.75 48.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 108.239 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.513 ' CZ ' ' HG3' ' A' ' 43' ' ' PRO . 7.0 p90 -132.65 160.63 36.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.728 ' HZ1' ' H ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -121.84 160.0 25.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.352 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -151.22 136.97 18.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.555 ' CE2' ' CB ' ' A' ' 50' ' ' ASN . 24.1 p90 -149.35 159.7 44.05 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.424 ' HB3' HG13 ' A' ' 49' ' ' VAL . 11.1 p90 -160.16 143.97 14.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 108.009 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.6 p -85.38 156.04 21.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.089 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.96 -166.13 1.35 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -62.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.585 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.96 51.08 2.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.404 1.065 . . . . 0.0 110.316 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.86 -171.07 35.81 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.562 1.164 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.7 m -153.23 120.01 5.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 0.777 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.5 mm -97.76 138.78 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.497 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.2 mp -129.27 150.0 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -151.82 152.77 33.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.759 ' NH2' ' O ' ' A' ' 61' ' ' ASN . 2.0 mpt_? -146.45 149.77 34.32 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.17 -175.55 41.05 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.6 OUTLIER -88.7 173.95 8.3 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.56 -169.09 35.35 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.9 t -158.79 86.24 2.33 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.712 ' HG2' HD11 ' A' ' 51' ' ' LEU . 18.3 Cg_endo -75.0 179.5 6.02 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.543 1.812 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -83.7 135.56 34.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 45' ' ' VAL . 8.2 p -79.14 112.03 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.409 1.068 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.81 154.48 42.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 140.99 26.14 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.536 1.809 . . . . 0.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.63 -11.83 69.49 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.541 1.151 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.424 HG13 ' HB3' ' A' ' 28' ' ' TRP . 97.0 t -128.07 146.31 33.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 0.792 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.555 ' CB ' ' CE2' ' A' ' 27' ' ' TRP . 1.2 m120 -90.91 134.1 34.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.712 HD11 ' HG2' ' A' ' 43' ' ' PRO . 5.9 tt -152.05 134.91 15.59 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.508 ' N ' HD23 ' A' ' 51' ' ' LEU . 13.1 t-20 -140.24 142.17 35.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 68.3 m -115.51 147.49 40.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 108.284 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -151.18 163.4 38.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 108.307 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.491 ' CZ ' ' OD1' ' A' ' 22' ' ' ASN . 9.1 mtp85 -117.71 19.99 13.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.457 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -105.71 144.19 32.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.358 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.74 140.64 58.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.219 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.608 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 3.6 ttp180 48.04 29.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.457 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 26.6 p -72.08 -24.87 61.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.347 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.468 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 10.5 p30 -92.72 83.97 4.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.759 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 8.7 p-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.558 HD23 ' SG ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.489 ' HG2' ' CG2' ' A' ' 14' ' ' THR . 4.8 tt0 -98.5 119.03 36.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.558 ' SG ' HD23 ' A' ' 1' ' ' LEU . 91.8 m -131.13 168.12 17.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 108.266 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.734 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 92.5 m-70 -70.67 162.53 28.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.602 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -130.06 -38.73 1.41 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.502 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 2.1 pt20 -41.68 154.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.418 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 11.4 pt20 -138.21 156.31 47.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.544 ' O ' HD13 ' A' ' 36' ' ' ILE . 1.7 m 66.01 -93.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.3 p -141.12 35.92 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.485 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -72.73 177.24 1.96 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -75.01 170.75 19.72 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.524 1.802 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.502 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 18.2 Cg_endo -74.97 84.05 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.798 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 p -110.22 140.84 43.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.489 ' CG2' ' HG2' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -127.38 171.13 11.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.12 152.3 12.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.1 m -93.48 132.98 37.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.419 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.8 m -99.84 152.4 20.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.262 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.28 131.25 56.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.037 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.56 -50.09 4.17 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -80.01 123.58 27.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 110.235 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.459 ' C ' ' ND2' ' A' ' 22' ' ' ASN . 7.2 t -114.59 39.38 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.459 ' ND2' ' C ' ' A' ' 21' ' ' THR . 3.0 m-80 -148.37 157.08 43.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.49 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 1.6 m -146.58 152.63 39.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 108.277 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.63 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 40.1 p90 -140.38 160.32 40.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -130.74 136.11 48.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 6.4 ptpt -131.43 139.9 49.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 20.8 p90 -150.64 158.3 43.99 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.513 ' CH2' HG21 ' A' ' 35' ' ' ILE . 9.2 p90 -162.06 134.92 5.98 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -85.84 148.61 25.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 33' ' ' GLY . 2.6 p30 -117.52 -161.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -46.13 -69.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.588 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -133.69 57.2 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 30' ' ' ASP . . . -174.2 -178.41 44.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 m -147.54 120.39 8.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 0.0 110.422 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.513 HG21 ' CH2' ' A' ' 28' ' ' TRP . 3.1 mp -95.41 132.75 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.63 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.8 mp -130.38 145.92 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 38' ' ' ARG . 7.4 tp10 -158.23 138.04 12.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.63 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 1.2 mpt_? -130.44 167.95 17.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.43 -175.41 47.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.566 1.166 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 1.2 m -94.66 157.61 15.89 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.63 -159.9 19.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.0 t -160.37 94.49 1.56 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.63 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.5 Cg_endo -75.0 -179.21 4.77 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.472 1.775 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.11 135.43 34.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.8 p -78.85 112.88 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.56 151.42 37.44 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 135.16 18.71 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.13 -26.28 23.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.546 1.154 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 88.9 t -113.25 140.89 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.5 OUTLIER -88.76 134.12 34.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.8 tp -149.86 142.55 24.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -140.17 131.34 26.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 35.6 m -109.33 143.53 38.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 108.296 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -156.43 163.84 38.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 108.306 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -118.94 21.81 12.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.242 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.473 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -101.16 148.18 25.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.388 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.1 137.8 58.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.556 ' HD3' ' CE1' ' A' ' 4' ' ' HIS . 6.5 mtm180 47.88 30.09 1.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.473 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 14.5 p -76.06 -19.03 58.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 108.331 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 39.1 p-10 -97.98 79.67 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.734 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . 13.9 t30 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.475 HD13 ' OG1' ' A' ' 21' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -104.14 127.13 51.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.9 m -129.07 173.02 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 108.28 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.613 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 93.2 m-70 -79.01 160.24 27.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.403 1.065 . . . . 0.0 109.54 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.509 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -123.54 -33.14 3.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.553 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.6 OUTLIER -37.41 145.63 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.448 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -119.89 147.15 45.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.317 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m 62.95 -97.1 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 m -132.42 35.62 3.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.943 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.579 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 1.9 mt-30 -65.42 179.94 0.39 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.245 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.579 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.1 Cg_endo -75.03 170.82 19.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.535 1.808 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 83.81 1.77 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.467 1.772 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.509 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 3.1 p -112.15 139.04 48.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 110.369 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -123.91 171.33 9.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.358 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.79 158.07 12.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 m -94.43 132.86 38.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.329 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.3 m -90.31 156.03 18.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 108.286 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 19' ' ' GLY . 8.0 m -95.81 130.16 42.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 18' ' ' SER . . . 37.15 49.56 1.57 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 21' ' ' THR . 5.4 tp10 -149.92 128.23 12.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.475 ' OG1' HD13 ' A' ' 1' ' ' LEU . 5.0 t -123.42 31.94 5.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.433 1.083 . . . . 0.0 110.385 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -141.95 153.49 44.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 99.9 m -149.6 156.55 42.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.173 . . . . 0.0 108.326 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.593 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 29.2 p90 -140.93 160.03 40.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.707 ' HZ1' ' H ' ' A' ' 61' ' ' ASN . 2.7 mtpp -116.91 138.46 51.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.577 1.173 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -135.76 129.46 32.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.544 ' CE2' ' HB3' ' A' ' 50' ' ' ASN . 25.8 p90 -151.0 161.77 42.1 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 12.9 p90 -159.88 136.68 9.22 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -81.6 145.38 30.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.43 ' OD2' ' CA ' ' A' ' 33' ' ' GLY . 2.8 p30 -109.67 -163.18 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -49.37 -64.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.6 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.2 52.35 1.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 110.364 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.43 ' CA ' ' OD2' ' A' ' 30' ' ' ASP . . . -166.66 -171.77 33.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.538 1.149 . . . . 0.0 111.048 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 m -150.89 120.32 6.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.471 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.8 mt -97.51 134.91 33.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 36' ' ' ILE . 3.9 mp -126.35 150.79 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 38' ' ' ARG . 4.9 tp10 -160.05 132.3 6.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.327 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 1.175 ' NH2' ' O ' ' A' ' 61' ' ' ASN . 1.7 mpt_? -123.51 153.46 40.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.62 -177.33 40.05 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.546 1.153 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -91.9 160.26 15.37 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.87 -172.02 23.23 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.439 1.087 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 47.0 t -152.35 88.97 3.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.593 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.5 Cg_endo -74.96 177.17 8.93 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.473 1.775 . . . . 0.0 111.098 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.464 ' C ' HD23 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -83.65 138.94 33.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.749 ' HA ' HD23 ' A' ' 51' ' ' LEU . 11.7 p -78.52 114.21 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.81 152.93 38.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.4 1.063 . . . . 0.0 109.348 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 135.03 18.69 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.4 -24.85 30.57 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.11 . . . . 0.0 111.006 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 90.7 t -114.93 142.99 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.544 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 64.4 m-80 -88.57 130.08 35.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.749 HD23 ' HA ' ' A' ' 45' ' ' VAL . 17.3 tp -145.3 131.8 19.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -133.28 148.35 51.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 63.0 m -121.25 147.78 45.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 108.342 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.4 p -156.59 164.98 37.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 108.328 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -129.5 23.27 5.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.46 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -106.68 148.08 28.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.467 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -61.73 138.43 58.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 109.387 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.613 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 11.6 mtm180 49.18 29.07 2.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 110.257 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.46 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 23.2 p -70.51 -30.46 67.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 108.303 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.507 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 35.2 p30 -97.25 79.72 2.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 1.175 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 52.8 t-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.861 HD13 ' HA ' ' A' ' 21' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.602 ' HG3' HG21 ' A' ' 14' ' ' THR . 2.8 pt-20 -104.76 124.84 50.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.174 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 63.5 m -114.93 162.72 16.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 108.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.562 ' CE1' ' HD3' ' A' ' 58' ' ' ARG . 30.7 m-70 -78.12 157.85 29.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.609 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.535 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 0.5 OUTLIER -120.37 -40.91 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.419 ' OE1' ' O ' ' A' ' 11' ' ' PRO . 0.4 OUTLIER -46.79 151.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.408 ' CB ' ' OE1' ' A' ' 37' ' ' GLU . 7.1 pm0 -139.5 160.54 39.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.405 ' CA ' ' HB ' ' A' ' 36' ' ' ILE . 1.9 m 65.47 -94.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 109.965 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.28 31.33 1.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.455 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -67.98 175.59 1.69 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 110.326 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -74.94 172.74 15.76 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.467 1.772 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 109.74 2.99 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.496 1.787 . . . . 0.0 111.043 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.535 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 1.7 p -140.56 140.9 35.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.429 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.602 HG21 ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -140.65 169.05 18.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.478 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -167.48 157.81 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.9 m -77.22 130.69 37.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.7 m -89.94 169.21 11.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 108.324 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 20' ' ' GLU . 12.8 m -68.25 -149.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.043 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.27 57.05 0.18 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.12 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.9 OUTLIER -127.5 141.78 51.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 0.765 . . . . 0.0 110.307 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.861 ' HA ' HD13 ' A' ' 1' ' ' LEU . 50.4 p -127.23 31.17 5.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.492 ' ND2' ' C ' ' A' ' 21' ' ' THR . 2.5 m-80 -149.54 154.06 38.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.52 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 31.3 m -145.19 141.69 28.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.328 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.563 ' CE2' HD11 ' A' ' 51' ' ' LEU . 15.2 p90 -134.17 159.88 39.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -124.33 153.75 41.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -144.03 145.07 31.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.571 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 19.0 p90 -150.1 159.66 44.24 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.88 ' CZ2' HG21 ' A' ' 35' ' ' ILE . 14.8 p90 -160.28 134.28 7.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 108.013 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.0 p -86.19 149.11 25.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -161.94 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -50.3 -62.84 1.35 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 109.594 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -138.02 53.07 1.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.44 -172.37 34.5 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.565 1.166 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.3 m -149.06 123.56 9.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 110.412 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.88 HG21 ' CZ2' ' A' ' 28' ' ' TRP . 40.3 mm -99.53 140.54 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.568 HD13 ' HB2' ' A' ' 27' ' ' TRP . 4.4 mm -127.4 149.87 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' OE1' ' CB ' ' A' ' 7' ' ' GLN . 41.6 tp10 -159.31 139.34 11.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 110.248 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 1.052 ' NH2' ' O ' ' A' ' 61' ' ' ASN . 2.1 mpt_? -130.52 157.78 41.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -170.05 -179.96 41.96 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.443 1.09 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 1.174 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 54.8 m -96.92 172.97 7.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.81 -157.19 33.8 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 54.0 t -160.34 85.29 1.98 Allowed Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.546 ' HD3' ' CE1' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -75.01 177.73 8.2 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.525 1.803 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.1 123.12 29.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.6 p -79.47 112.57 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -84.15 162.65 51.08 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.399 1.062 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 134.86 18.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.428 1.751 . . . . 0.0 111.043 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.15 -31.59 8.19 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 69.9 t -106.79 140.83 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.565 0.803 . . . . 0.0 109.309 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.571 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 31.7 m-80 -90.22 135.96 33.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.221 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.563 HD11 ' CE2' ' A' ' 24' ' ' TYR . 6.5 tt -156.35 138.69 14.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.446 ' N ' HD23 ' A' ' 51' ' ' LEU . 6.7 t-20 -135.89 137.41 41.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.2 m -104.4 143.65 32.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.3 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -149.27 164.08 35.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 108.3 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.449 ' NE ' ' OD1' ' A' ' 22' ' ' ASN . 53.7 mtp180 -122.65 22.87 9.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -107.48 146.62 31.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.399 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.38 139.83 58.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.562 ' HD3' ' CE1' ' A' ' 4' ' ' HIS . 4.5 mtm180 49.87 28.92 3.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.606 1.191 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 56' ' ' THR . 20.9 p -68.6 -30.6 69.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.454 1.096 . . . . 0.0 108.271 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.526 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 15.8 p30 -94.99 84.69 4.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 1.052 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 9.8 p-10 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.513 ' CD2' ' SG ' ' A' ' 23' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 3.1 tt0 -101.46 118.37 36.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.838 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 72.1 m -111.39 156.08 22.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.291 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.779 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 2.9 m-70 -66.2 165.14 14.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.602 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -127.03 -41.9 1.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.241 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.511 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -48.4 150.97 1.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.268 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.485 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 14.2 tm0? -128.36 152.99 47.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m 60.43 -96.93 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -133.86 40.75 3.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.554 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -73.61 178.74 1.42 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.404 1.065 . . . . 0.0 110.255 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.554 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.0 Cg_endo -75.07 174.03 13.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.458 1.767 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 106.65 2.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.2 p -138.73 138.78 37.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.438 ' OG1' ' NH2' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -132.62 168.05 18.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.376 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -164.32 158.99 19.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 m -93.54 128.3 39.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.377 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -88.37 160.79 17.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 108.322 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 19' ' ' GLY . 61.8 p -103.09 147.75 26.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 18' ' ' SER . . . 34.85 49.96 0.77 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.462 ' OE2' ' N ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -160.63 143.16 12.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 0.78 . . . . 0.0 110.275 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.465 ' C ' ' ND2' ' A' ' 22' ' ' ASN . 2.0 t -140.56 44.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.43 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.465 ' ND2' ' C ' ' A' ' 21' ' ' THR . 4.0 m-80 -150.52 151.42 32.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.513 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 4.0 m -142.48 143.59 32.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 108.382 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.555 ' CZ ' ' HG3' ' A' ' 43' ' ' PRO . 19.0 p90 -133.56 160.02 38.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.06 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.457 ' NZ ' ' O ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -125.6 146.78 49.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -141.44 138.22 32.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.375 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 22.6 p90 -150.68 159.65 44.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 107.956 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.783 ' CH2' HG21 ' A' ' 35' ' ' ILE . 9.6 p90 -160.55 129.56 4.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 107.971 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -81.17 140.69 34.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.985 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.436 ' OD2' ' C ' ' A' ' 33' ' ' GLY . 4.1 p30 -105.93 -164.9 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -47.69 -61.03 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 109.593 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -140.15 55.14 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.235 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.436 ' C ' ' OD2' ' A' ' 30' ' ' ASP . . . -169.03 -173.26 36.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.125 . . . . 0.0 111.059 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.7 m -149.85 123.36 9.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 0.798 . . . . 0.0 110.281 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.783 HG21 ' CH2' ' A' ' 28' ' ' TRP . 4.6 mp -100.25 139.4 21.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.553 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.5 mp -131.94 150.84 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.445 ' HG2' ' CG ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -160.56 132.22 5.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.553 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 1.9 mpt_? -126.3 155.02 42.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.28 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.26 -175.62 39.83 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.441 1.088 . . . . 0.0 111.061 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.838 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 82.2 m -92.0 172.36 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.462 ' N ' ' OE2' ' A' ' 20' ' ' GLU . . . 83.03 -162.8 41.01 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 49.7 t -153.26 96.12 2.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.555 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -75.03 175.7 10.9 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.447 1.762 . . . . 0.0 110.978 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -84.56 135.13 34.34 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.702 ' HA ' HD23 ' A' ' 51' ' ' LEU . 34.9 m -79.26 112.57 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -97.53 157.11 35.33 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 143.45 28.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.552 1.817 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.32 -28.73 7.81 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.57 1.169 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 97.0 t -109.32 140.96 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.322 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -88.37 130.33 35.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.702 HD23 ' HA ' ' A' ' 45' ' ' VAL . 42.3 tp -146.45 135.39 22.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -139.79 141.15 36.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.1 m -115.29 147.1 40.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 108.283 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -153.01 160.55 43.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 108.299 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -117.73 20.48 13.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.49 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -101.11 145.46 28.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.417 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -62.63 136.81 58.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.653 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 2.3 ttt180 48.98 30.45 2.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.49 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 20.0 p -70.26 -26.48 63.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 108.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.502 ' HB2' ' CG ' ' A' ' 38' ' ' ARG . 27.2 p30 -94.14 84.4 4.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.837 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 15.8 t30 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.682 HD13 ' HB ' ' A' ' 21' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.691 ' HG3' HG21 ' A' ' 14' ' ' THR . 11.0 pt-20 -107.55 123.43 48.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.123 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 83.2 m -105.65 165.02 11.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 108.221 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.649 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 2.0 m-70 -68.29 167.08 15.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.569 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -131.08 -42.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.323 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.538 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -48.32 150.27 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.429 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -127.15 150.42 49.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 36' ' ' ILE . 1.6 m 64.17 -96.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.018 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.27 37.67 2.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.031 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.547 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -71.15 178.67 1.12 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.547 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -75.02 174.32 12.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 107.44 2.48 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.409 1.742 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 p -140.49 141.1 35.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.691 HG21 ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -134.39 173.28 11.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.383 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.29 145.64 4.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.2 m -71.34 131.18 43.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.452 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.9 m -92.95 157.16 16.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 108.269 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.422 ' C ' ' N ' ' A' ' 20' ' ' GLU . 68.5 p -69.96 -149.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -46.16 -19.97 0.46 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' A' ' 22' ' ' ASN . 2.1 tm-20 -76.41 118.73 19.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 0.736 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.682 ' HB ' HD13 ' A' ' 1' ' ' LEU . 53.6 p -115.3 47.19 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 110.425 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.461 ' N ' ' OE1' ' A' ' 20' ' ' GLU . 1.9 m-80 -144.61 152.52 40.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 1.4 m -140.1 143.67 36.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 108.287 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.532 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 4.1 p90 -137.13 158.01 45.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -121.56 156.49 32.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.933 ' HB3' HD12 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -148.79 139.35 22.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.419 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.5 p90 -150.42 158.36 44.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 107.994 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.628 ' CH2' HG21 ' A' ' 35' ' ' ILE . 13.3 p90 -161.28 132.33 5.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 107.988 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -81.3 138.31 35.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.537 ' OD2' ' CA ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -108.63 -168.58 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.95 -64.67 0.66 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.106 . . . . 0.0 109.636 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.527 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 4.7 ttm180 -136.98 59.57 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.537 ' CA ' ' OD2' ' A' ' 30' ' ' ASP . . . 179.73 -177.86 48.34 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.7 m -145.66 123.24 11.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 110.458 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.628 HG21 ' CH2' ' A' ' 28' ' ' TRP . 49.6 mm -97.11 138.92 20.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.523 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.2 mp -131.25 150.64 34.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.098 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.404 ' HA ' ' OE1' ' A' ' 37' ' ' GLU . 3.1 tp10 -157.07 148.79 22.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.523 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 2.0 mpt_? -141.1 153.4 45.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.31 -172.91 36.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.571 1.169 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 1.123 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.8 OUTLIER -98.71 168.15 10.33 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.31 -160.48 28.17 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.467 1.104 . . . . 0.0 110.989 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.8 t -161.28 87.02 1.66 Allowed Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.532 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -74.93 -179.57 5.09 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.8 . . . . 0.0 111.046 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.25 136.41 34.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.387 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.729 HG12 HD23 ' A' ' 51' ' ' LEU . 25.6 m -78.62 114.95 19.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -92.39 156.52 41.49 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 138.8 23.44 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.584 1.834 . . . . 0.0 111.046 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.59 -29.42 9.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.1 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.7 t -107.32 137.51 38.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -90.92 135.07 33.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.933 HD12 ' HB3' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -150.45 139.54 21.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -135.19 136.19 41.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.3 m -107.93 143.39 36.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 108.228 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -153.02 161.98 41.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 108.331 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -120.62 22.79 11.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.481 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -103.31 148.12 26.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 110.397 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.03 137.28 58.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.649 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 6.5 mtm180 47.29 30.56 1.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.481 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 18.2 p -69.52 -26.43 64.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 108.331 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.489 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 26.3 p-10 -95.49 82.64 3.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.783 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 11.1 p30 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.469 HD23 ' SG ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 4.8 tt0 -95.45 122.75 38.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.469 ' SG ' HD23 ' A' ' 1' ' ' LEU . 93.5 m -129.51 167.72 17.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 108.261 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.651 ' CE1' ' CD ' ' A' ' 58' ' ' ARG . 89.5 m-70 -71.71 157.87 37.16 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.548 1.155 . . . . 0.0 109.647 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.526 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 0.6 OUTLIER -123.63 -37.62 2.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.51 ' CB ' ' HB3' ' A' ' 10' ' ' GLN . 1.1 pt20 -37.52 146.45 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 36' ' ' ILE . 2.0 tt0 -124.97 151.56 45.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.453 ' CA ' ' HB ' ' A' ' 36' ' ' ILE . 1.5 m 64.88 -95.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.4 m -135.7 33.18 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.985 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.51 ' HB3' ' CB ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -64.83 177.52 0.59 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 110.296 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.509 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -74.99 171.97 17.28 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.448 1.762 . . . . 0.0 110.943 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 86.53 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.397 1.735 . . . . 0.0 111.035 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.526 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 1.6 p -115.48 141.5 47.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.414 HG21 ' HG3' ' A' ' 58' ' ' ARG . 1.1 m -129.68 169.62 14.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -166.86 161.89 15.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.4 m -84.35 143.93 29.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.426 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 19.3 m -97.53 -179.97 4.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 108.307 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.412 ' C ' ' N ' ' A' ' 20' ' ' GLU . 3.4 m -96.69 -149.62 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 110.011 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -49.24 -18.88 1.48 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 22' ' ' ASN . 2.0 tm-20 -77.48 123.7 26.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.751 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 t -111.29 38.81 2.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.356 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.468 ' N ' ' OE1' ' A' ' 20' ' ' GLU . 3.3 m-80 -143.56 154.6 43.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.427 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 1.8 m -149.53 146.33 27.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 108.314 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.552 ' CD2' HD21 ' A' ' 51' ' ' LEU . 24.1 p90 -135.68 160.36 38.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.539 ' NZ ' HD22 ' A' ' 52' ' ' ASN . 0.6 OUTLIER -126.68 137.52 53.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -131.39 142.49 50.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.551 ' HB2' HD13 ' A' ' 36' ' ' ILE . 16.4 p90 -150.14 159.74 44.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 107.981 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.737 ' CH2' HG21 ' A' ' 35' ' ' ILE . 11.7 p90 -160.43 133.95 6.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.2 p -86.09 142.28 28.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.008 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.53 -163.97 0.94 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -52.22 -64.36 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.573 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -133.85 51.9 2.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.14 -171.47 34.89 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.499 HG22 HD11 ' A' ' 36' ' ' ILE . 7.5 m -155.46 121.76 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 110.43 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.737 HG21 ' CH2' ' A' ' 28' ' ' TRP . 46.9 mm -96.62 141.47 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.586 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 4.0 mm -128.82 153.24 38.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -159.51 143.5 14.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.285 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.664 ' NE ' ' O ' ' A' ' 61' ' ' ASN . 1.6 mpt_? -148.75 156.82 42.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.584 1.178 . . . . 0.0 110.296 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.59 -177.67 48.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -80.75 -178.92 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.39 -171.71 55.15 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -160.59 86.07 1.87 Allowed Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -178.13 3.96 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.792 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.14 135.16 35.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.6 m -79.03 113.51 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.34 154.28 48.85 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 137.33 21.49 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.92 -28.82 12.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.577 1.173 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 38.8 t -114.4 146.4 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.433 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 9.0 m-20 -92.81 135.97 33.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.552 HD21 ' CD2' ' A' ' 24' ' ' TYR . 1.3 tt -148.29 146.62 28.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.539 HD22 ' NZ ' ' A' ' 25' ' ' LYS . 11.9 t-20 -141.74 133.24 26.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.241 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.54 142.97 43.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 0.0 108.346 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -158.79 161.58 36.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 108.324 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -117.8 23.22 11.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.447 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -101.8 147.47 26.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.428 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.25 139.02 58.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.651 ' CD ' ' CE1' ' A' ' 4' ' ' HIS . 10.8 mtm180 48.59 29.31 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.447 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 13.8 p -78.55 -25.42 45.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 108.263 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.428 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 46.4 p-10 -96.51 80.53 3.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.399 1.062 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 1.018 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 33.1 t-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.481 ' CD2' ' SG ' ' A' ' 23' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.733 ' HG3' HG21 ' A' ' 14' ' ' THR . 5.0 pt-20 -104.81 121.63 44.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.523 ' O ' HG22 ' A' ' 14' ' ' THR . 84.6 m -107.05 156.96 18.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 108.247 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.744 ' CD2' ' HB3' ' A' ' 61' ' ' ASN . 1.2 m-70 -69.17 162.28 27.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.559 1.162 . . . . 0.0 109.571 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -129.64 -43.93 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 11' ' ' PRO . 0.5 OUTLIER -49.96 152.71 1.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.416 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 1.5 pp0? -140.57 159.59 41.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.069 . . . . 0.0 110.309 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.517 ' O ' HD13 ' A' ' 36' ' ' ILE . 2.9 m 64.31 -93.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.599 1.187 . . . . 0.0 109.969 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.4 p -141.08 38.14 1.76 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.445 1.091 . . . . 0.0 109.99 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.442 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -75.98 174.81 4.98 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -75.01 173.56 14.3 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.433 1.754 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 105.73 2.14 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.0 p -138.3 138.16 38.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.591 1.182 . . . . 0.0 110.416 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.733 HG21 ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -135.16 166.97 21.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 110.444 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 8.0 tttt -155.71 158.74 38.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.235 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 m -85.63 131.85 34.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.445 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.0 m -96.77 151.52 19.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.339 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.3 p -117.98 138.19 52.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.981 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.28 -48.74 3.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.49 ' OE1' ' O ' ' A' ' 22' ' ' ASN . 1.0 OUTLIER -85.26 154.2 22.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.528 0.781 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.495 ' C ' ' ND2' ' A' ' 22' ' ' ASN . 10.5 t -140.04 39.67 1.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.429 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.495 ' ND2' ' C ' ' A' ' 21' ' ' THR . 2.5 m-80 -149.69 151.09 33.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.497 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 3.7 m -135.36 143.06 45.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 108.298 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.554 ' CE2' ' HD3' ' A' ' 43' ' ' PRO . 14.0 p90 -138.99 157.53 45.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.402 1.064 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -122.93 149.79 43.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -143.33 139.69 30.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 15.6 p90 -150.12 158.1 43.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.463 ' CZ2' HG21 ' A' ' 35' ' ' ILE . 11.3 p90 -161.52 132.65 5.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.032 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -87.81 134.71 33.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.943 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 33' ' ' GLY . 0.6 OUTLIER -100.17 -166.62 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.594 1.184 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -45.86 -66.78 0.35 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.554 1.159 . . . . 0.0 109.513 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.545 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -133.04 56.04 1.87 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.547 1.154 . . . . 0.0 110.274 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.534 ' N ' ' OD1' ' A' ' 30' ' ' ASP . . . -172.39 -172.88 38.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 m -154.82 119.32 4.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 0.734 . . . . 0.0 110.427 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.463 HG21 ' CZ2' ' A' ' 28' ' ' TRP . 30.6 mm -99.85 136.63 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.656 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.7 mp -130.65 150.67 34.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.45 1.094 . . . . 0.0 109.385 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.48 143.09 17.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.656 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 2.1 mpt_? -138.15 158.25 44.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.157 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.65 -175.48 47.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.434 1.084 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 18.7 m -88.61 167.63 13.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.73 -162.8 23.35 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.2 t -161.16 90.38 1.56 Allowed Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.554 ' HD3' ' CE2' ' A' ' 24' ' ' TYR . 18.5 Cg_endo -74.93 176.55 9.74 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.603 1.843 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.93 133.31 34.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.528 ' CA ' HD23 ' A' ' 51' ' ' LEU . 6.5 p -79.3 108.55 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.7 158.87 50.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 126.96 10.34 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.49 1.784 . . . . 0.0 111.061 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.64 -33.01 6.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 64.2 t -102.72 136.86 33.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 0.773 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -89.02 132.81 34.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.528 HD23 ' CA ' ' A' ' 45' ' ' VAL . 4.9 tp -150.32 138.69 20.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -139.62 137.12 35.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 86.4 m -110.88 144.4 39.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 108.32 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.81 161.69 42.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 108.286 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -114.08 21.07 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.361 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.496 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -100.01 146.34 26.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.172 . . . . 0.0 110.376 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.58 135.48 57.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.644 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 3.2 ttm180 48.68 30.87 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.496 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 15.1 p -72.05 -22.02 61.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 108.323 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.497 ' ND2' ' HB3' ' A' ' 23' ' ' CYS . 8.8 p30 -91.69 85.98 5.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.744 ' HB3' ' CD2' ' A' ' 4' ' ' HIS . 19.3 p-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.508 HD13 ' HB ' ' A' ' 21' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.6 ' HG2' HG22 ' A' ' 14' ' ' THR . 7.6 tt0 -105.9 112.7 25.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.173 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 86.3 m -106.78 152.52 23.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 108.269 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.584 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 12.6 m-70 -68.47 157.61 35.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.625 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.521 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 1.8 p30 -123.92 -37.77 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.543 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -33.75 144.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.314 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.494 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 1.2 tm0? -122.95 144.76 49.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.354 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 36' ' ' ILE . 1.6 m 64.52 -95.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 110.044 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.5 p -134.6 33.18 3.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.985 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.524 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -62.98 179.13 0.32 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.526 ' O ' ' HB3' ' A' ' 6' ' ' GLN . 18.1 Cg_endo -74.97 174.35 12.93 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.483 1.781 . . . . 0.0 111.058 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.543 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 18.2 Cg_endo -75.05 85.04 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.521 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 1.9 p -114.43 141.2 47.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.447 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.6 HG22 ' HG2' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -131.55 168.26 17.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.25 145.07 9.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.7 m -77.4 128.45 34.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.449 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.5 m -90.63 167.9 12.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 0.0 108.202 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 p -129.38 137.83 51.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.027 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.65 -50.09 2.11 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' OE1' ' N ' ' A' ' 21' ' ' THR . 6.8 tp10 -87.12 139.34 30.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 0.79 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.508 ' HB ' HD13 ' A' ' 1' ' ' LEU . 65.5 p -127.43 42.96 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.378 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.462 ' ND2' ' C ' ' A' ' 21' ' ' THR . 2.2 m-80 -146.21 160.36 42.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.216 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.507 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 1.1 m -140.15 143.09 35.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 108.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.576 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 30.4 p90 -138.06 159.38 42.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.529 ' CD ' ' HA ' ' A' ' 60' ' ' ASN . 2.5 mttp -114.63 146.44 40.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -143.26 128.14 18.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.532 ' CE2' ' HB3' ' A' ' 50' ' ' ASN . 17.6 p90 -150.76 162.01 41.55 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.438 ' HB3' HG13 ' A' ' 49' ' ' VAL . 19.1 p90 -157.37 131.25 8.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 107.992 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.5 p -81.9 134.24 35.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.983 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.422 ' OD2' ' HA3' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -101.3 -169.6 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 109.194 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -46.31 -62.86 1.17 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.388 1.055 . . . . 0.0 109.568 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.544 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -135.62 54.3 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.422 ' HA3' ' OD2' ' A' ' 30' ' ' ASP . . . -171.22 -179.13 42.16 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.597 1.185 . . . . 0.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.8 m -150.24 121.71 7.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 0.725 . . . . 0.0 110.42 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.8 mt -99.87 132.62 45.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.347 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.585 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 1.8 mp -125.84 152.31 32.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -160.85 154.56 22.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.585 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 1.9 mpt_? -140.61 154.95 46.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.39 -175.65 38.74 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 1.173 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.3 m -97.49 156.49 16.47 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.15 -159.78 19.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.6 t -158.91 96.75 1.72 Allowed Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.581 ' HG2' HD11 ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.98 179.58 5.95 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.46 1.769 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.72 131.85 34.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.245 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.472 ' O ' HG23 ' A' ' 45' ' ' VAL . 30.5 m -79.5 112.56 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.43 152.58 37.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 131.35 14.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.566 1.824 . . . . 0.0 110.978 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.32 -35.01 5.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.438 HG13 ' HB3' ' A' ' 28' ' ' TRP . 96.4 t -104.67 144.02 15.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.532 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 74.9 m-20 -89.81 136.4 33.06 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.581 HD11 ' HG2' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -155.52 141.71 18.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 24' ' ' TYR . 18.5 t-20 -137.67 141.63 41.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 54.2 m -116.67 144.95 43.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 108.318 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -153.44 161.14 42.57 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 0.0 108.279 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -118.57 19.76 13.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.477 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -103.87 146.06 29.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.407 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -63.62 141.52 58.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.584 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 33.8 mtp180 48.45 24.27 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.23 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.477 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 19.7 p -69.47 -24.97 63.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.608 1.193 . . . . 0.0 108.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.535 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 18.3 p-10 -94.05 81.73 4.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 1.131 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 3.6 t-20 . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.51 ' CD2' ' SG ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -98.4 112.13 24.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.647 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 75.3 m -110.84 162.74 14.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 108.277 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.55 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 0.8 OUTLIER -68.63 164.44 21.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.628 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -127.34 -45.54 1.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.572 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.7 OUTLIER -38.76 145.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 110.191 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.416 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -120.19 153.12 36.72 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m 58.14 -96.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 110.012 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 p -133.5 43.09 2.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.005 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.547 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 1.0 OUTLIER -74.78 178.37 1.78 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.572 ' O ' ' HB3' ' A' ' 6' ' ' GLN . 18.5 Cg_endo -74.91 174.5 12.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.544 1.812 . . . . 0.0 111.039 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 105.01 2.0 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.559 1.82 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 p -140.02 141.77 36.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -130.56 173.97 10.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.423 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.62 147.2 6.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 m -84.07 127.96 34.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.403 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.7 m -91.52 158.25 16.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 108.269 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.8 p -108.81 153.41 23.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.939 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 39.75 29.94 0.19 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -152.0 127.83 10.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.2 t -127.24 47.77 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.384 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -143.11 160.86 39.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.51 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 79.5 m -134.7 139.47 45.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 108.314 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.56 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 2.2 p90 -139.12 160.02 40.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.528 ' CE ' ' O ' ' A' ' 59' ' ' CYS . 1.0 OUTLIER -134.08 141.7 47.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.488 ' HB3' HD23 ' A' ' 51' ' ' LEU . 3.6 ptmt -142.62 128.71 19.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.1 p90 -146.83 162.4 38.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 108.037 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 7.6 p90 -159.37 133.35 7.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -84.37 144.21 28.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.962 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 33' ' ' GLY . 2.1 p30 -109.85 -167.77 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -44.93 -67.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.644 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.524 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -133.23 56.5 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.497 ' N ' ' OD1' ' A' ' 30' ' ' ASP . . . -170.04 -174.06 37.93 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.2 m -156.4 118.94 4.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 0.772 . . . . 0.0 110.399 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.3 mm -101.02 132.3 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.248 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.7 mp -119.34 150.79 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.262 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.412 ' HA ' ' OE1' ' A' ' 37' ' ' GLU . 5.7 tp10 -149.42 153.77 37.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 1.028 ' NH2' ' HA ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -144.39 164.0 32.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 179.39 -171.36 43.17 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.461 1.1 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.647 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 43.1 m -107.97 155.18 20.62 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.58 -160.73 18.92 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.456 1.097 . . . . 0.0 111.037 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.8 t -150.24 92.12 4.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 177.87 8.03 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.496 1.787 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -84.07 132.96 34.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.145 . . . . 0.0 109.246 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.625 ' HB ' HD12 ' A' ' 51' ' ' LEU . 2.7 p -79.39 113.37 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.95 153.39 39.9 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 136.78 20.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.451 1.763 . . . . 0.0 111.047 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.67 -21.96 43.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.556 1.16 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 86.6 t -116.66 142.29 31.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.437 0.728 . . . . 0.0 109.299 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.48 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -86.39 132.35 33.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.639 HD22 ' N ' ' A' ' 52' ' ' ASN . 2.1 tm? -147.58 132.34 17.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.222 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.639 ' N ' HD22 ' A' ' 51' ' ' LEU . 37.6 t-20 -133.27 146.88 51.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.243 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 64.1 m -117.83 144.66 45.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.105 . . . . 0.0 108.373 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.8 p -158.12 165.01 36.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.565 1.166 . . . . 0.0 108.358 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -124.46 25.51 7.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 0.9 OUTLIER -104.09 145.3 30.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.486 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.3 136.15 51.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.55 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER 58.98 19.38 7.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.254 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.528 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 1.4 p -69.74 -10.41 58.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 108.226 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.512 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -90.33 82.15 5.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 1.028 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 35.0 p-10 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.476 ' HG3' ' CG2' ' A' ' 14' ' ' THR . 1.8 pt-20 -100.43 130.18 46.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.416 ' SG ' ' OD1' ' A' ' 60' ' ' ASN . 1.7 m -128.57 167.96 16.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 108.357 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.637 ' CD2' ' CG ' ' A' ' 58' ' ' ARG . 27.7 m-70 -71.63 154.3 41.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.074 . . . . 0.0 109.524 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.516 ' OD1' ' OG1' ' A' ' 13' ' ' THR . 1.9 p30 -119.64 -35.17 3.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.51 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 0.9 OUTLIER -45.71 150.49 0.51 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.423 1.077 . . . . 0.0 110.235 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -130.4 157.21 43.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.26 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.515 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.7 m 60.62 -97.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.2 m -134.64 40.08 2.98 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.495 ' HB3' ' CB ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -73.18 176.89 2.25 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.488 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -75.1 171.11 18.95 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.506 1.793 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.51 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 18.4 Cg_endo -74.99 99.25 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.449 1.763 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.516 ' OG1' ' OD1' ' A' ' 5' ' ' ASN . 1.6 p -130.28 140.72 50.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.4 1.063 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.476 ' CG2' ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -136.96 164.19 28.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 110.42 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 4.7 pttp -163.03 153.37 16.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 m -86.8 124.37 32.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 55.8 m -86.73 150.03 24.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 108.283 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.94 146.35 45.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 0.0 109.963 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.06 -50.2 4.13 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.456 ' OE2' ' N ' ' A' ' 21' ' ' THR . 6.9 tp10 -91.44 133.29 35.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 0.725 . . . . 0.0 110.298 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.456 ' N ' ' OE2' ' A' ' 20' ' ' GLU . 72.6 p -116.33 44.01 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.375 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.403 ' ND2' ' C ' ' A' ' 21' ' ' THR . 4.9 m-80 -148.69 169.43 20.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 87.5 m -148.03 146.42 28.88 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.495 1.122 . . . . 0.0 108.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.591 ' CG ' ' CD ' ' A' ' 43' ' ' PRO . 18.5 p90 -140.59 155.28 46.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.78 143.09 49.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.506 ' HB3' HD23 ' A' ' 51' ' ' LEU . 6.0 ptmt -138.93 141.87 38.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 16.2 p90 -150.55 159.79 44.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.168 . . . . 0.0 107.993 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.928 ' CZ2' HG21 ' A' ' 35' ' ' ILE . 11.3 p90 -159.33 138.26 11.02 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 p -91.81 137.57 32.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.969 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.44 ' OD2' ' C ' ' A' ' 33' ' ' GLY . 4.0 p30 -97.62 -167.22 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -47.71 -62.79 1.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.578 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -135.23 54.36 1.93 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.477 1.111 . . . . 0.0 110.363 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.44 ' C ' ' OD2' ' A' ' 30' ' ' ASP . . . -167.85 -179.66 40.62 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.456 1.098 . . . . 0.0 110.993 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.0 m -140.89 119.41 12.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 0.72 . . . . 0.0 110.423 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.928 HG21 ' CZ2' ' A' ' 28' ' ' TRP . 4.6 mp -96.67 141.5 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 8' ' ' SER . 77.4 mt -126.17 150.8 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 38' ' ' ARG . 3.2 tp10 -154.65 144.2 21.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.517 ' HG2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -141.17 165.06 28.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.42 -175.47 47.44 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 4.6 m -105.44 155.28 19.29 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.41 -159.53 19.24 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 49.7 t -147.74 89.3 5.39 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.591 ' CD ' ' CG ' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -75.02 173.31 14.74 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.436 1.756 . . . . 0.0 110.999 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -84.61 137.62 33.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.162 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.405 HG12 ' H ' ' A' ' 45' ' ' VAL . 3.0 p -79.3 112.61 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.205 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -86.87 156.76 55.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 124.84 8.92 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.62 -37.95 3.57 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.453 1.096 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 69.4 t -98.48 139.79 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.36 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.8 OUTLIER -84.15 132.41 34.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.531 ' C ' HD13 ' A' ' 51' ' ' LEU . 3.3 tm? -141.23 132.9 27.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.438 ' N ' HD13 ' A' ' 51' ' ' LEU . 5.7 t-20 -134.9 140.41 45.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 61.2 m -110.19 145.48 37.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 108.354 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' CYS . 1.5 p -158.63 160.37 36.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 108.352 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -124.84 24.25 7.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.501 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 1.2 p -101.26 147.63 26.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.601 1.188 . . . . 0.0 110.381 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.81 130.42 43.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.637 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 9.8 ttp-105 62.41 29.59 17.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.363 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.501 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.5 p -73.44 -6.58 47.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 108.268 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.517 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -93.52 82.97 4.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.689 ' OXT' ' CG ' ' A' ' 61' ' ' ASN . 24.7 p-10 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.453 ' CD2' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.516 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 5.4 tt0 -97.97 119.2 36.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.453 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 71.9 m -121.18 161.03 22.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 108.258 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.622 ' CE1' ' HD3' ' A' ' 58' ' ' ARG . 72.6 m-70 -70.72 153.97 42.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.627 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.513 ' OD1' ' OG1' ' A' ' 13' ' ' THR . 3.2 p30 -122.62 -35.4 3.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.409 1.068 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.517 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 1.8 pt20 -47.52 152.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 110.238 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.417 ' CG ' ' OE1' ' A' ' 37' ' ' GLU . 25.7 mt-30 -137.01 157.67 46.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.469 ' CA ' ' HB ' ' A' ' 36' ' ' ILE . 1.6 m 65.07 -96.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.946 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.8 p -137.06 33.95 2.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.034 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.472 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.2 mt-30 -69.42 175.55 2.12 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -75.03 171.38 18.44 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.422 1.749 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.517 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 18.0 Cg_endo -75.05 91.18 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.801 . . . . 0.0 110.949 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.513 ' OG1' ' OD1' ' A' ' 5' ' ' ASN . 1.6 p -120.35 140.75 50.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.405 HG21 ' HG3' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -128.69 166.91 18.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.443 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -156.31 155.37 32.15 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.7 m -93.86 126.48 39.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.1 m -98.25 151.26 20.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 108.281 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -126.61 144.44 50.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.454 1.096 . . . . 0.0 110.006 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.63 -41.01 3.07 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.448 ' OE2' ' ND2' ' A' ' 22' ' ' ASN . 6.3 tp10 -110.84 126.64 54.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 0.736 . . . . 0.0 110.269 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.464 ' C ' ' ND2' ' A' ' 22' ' ' ASN . 68.6 p -106.35 41.17 1.47 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.398 1.061 . . . . 0.0 110.43 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.464 ' ND2' ' C ' ' A' ' 21' ' ' THR . 3.4 m-80 -149.7 161.55 41.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.07 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 41.9 m -150.59 156.21 40.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.392 1.057 . . . . 0.0 108.312 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.582 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 26.5 p90 -140.27 161.14 38.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 0.0 111.041 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -127.66 153.47 46.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 2.4 ptpt -150.38 142.14 23.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.64 ' HB2' HD13 ' A' ' 36' ' ' ILE . 20.3 p90 -150.72 159.72 44.33 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.675 ' CZ2' HG21 ' A' ' 35' ' ' ILE . 15.5 p90 -160.15 132.8 6.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.057 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.8 p -84.66 152.85 23.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 110.006 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 32' ' ' ARG . 2.3 p30 -115.35 -161.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.06 -66.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.569 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.536 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 5.8 ttt180 -135.04 54.3 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.213 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.404 ' N ' ' OD1' ' A' ' 30' ' ' ASP . . . -166.25 -175.65 36.77 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.2 m -145.73 122.19 11.02 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.482 0.754 . . . . 0.0 110.389 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.675 HG21 ' CZ2' ' A' ' 28' ' ' TRP . 46.7 mm -99.19 140.73 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.64 HD13 ' HB2' ' A' ' 27' ' ' TRP . 8.7 mm -127.76 150.8 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 109.354 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.417 ' OE1' ' CG ' ' A' ' 7' ' ' GLN . 49.9 tp10 -157.29 140.72 15.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.349 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.631 ' CZ ' ' HA ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -141.09 160.54 39.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.87 -176.59 43.31 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 2.2 m -98.9 154.78 17.79 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.47 -165.82 19.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.556 1.16 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 50.3 t -151.44 87.69 4.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.582 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.2 Cg_endo -75.02 -178.95 4.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.575 1.829 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.73 125.62 31.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.841 HG23 ' HB3' ' A' ' 51' ' ' LEU . 14.4 p -78.37 113.46 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.375 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.26 153.59 46.57 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 137.59 21.79 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.433 1.754 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.04 -30.29 9.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.48 HG13 ' HB3' ' A' ' 28' ' ' TRP . 51.1 t -111.26 146.51 16.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.536 0.786 . . . . 0.0 109.34 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.463 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 76.8 m-20 -87.49 132.02 34.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.362 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.841 ' HB3' HG23 ' A' ' 45' ' ' VAL . 6.4 tt -153.03 138.37 17.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 0.0 109.392 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.691 ' N ' HD23 ' A' ' 51' ' ' LEU . 35.2 t-20 -137.49 139.32 40.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 21.8 m -109.4 143.77 38.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 108.279 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 p -156.74 163.91 38.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 108.246 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.1 mtt180 -121.81 17.63 11.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.438 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -99.71 148.97 23.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 2.3 m-20 -63.4 141.57 58.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.622 ' HD3' ' CE1' ' A' ' 4' ' ' HIS . 0.7 OUTLIER 48.02 24.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.362 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.438 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 15.5 p -72.11 -27.22 62.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 108.315 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.448 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 35.9 p30 -94.99 84.39 4.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 1.084 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 10.7 p30 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.834 HD13 ' CA ' ' A' ' 21' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.515 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 12.8 pt-20 -101.58 118.7 37.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.459 ' C ' ' CG2' ' A' ' 14' ' ' THR . 64.9 m -103.97 153.07 21.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 108.328 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.572 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 7.9 m-70 -68.24 153.9 42.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.686 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.552 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 0.6 OUTLIER -121.88 -40.7 2.5 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.466 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -38.76 146.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.298 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.498 ' CG ' ' HG2' ' A' ' 37' ' ' GLU . 10.6 tm0? -121.95 148.77 44.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.357 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.557 ' N ' ' O ' ' A' ' 36' ' ' ILE . 1.8 m 63.55 -97.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.016 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.98 33.31 3.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.557 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 1.0 OUTLIER -63.01 178.94 0.33 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.406 1.066 . . . . 0.0 110.327 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.557 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -74.97 172.33 16.58 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.553 1.818 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 104.61 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.554 1.818 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.552 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 1.4 p -138.74 142.87 38.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.418 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.459 ' CG2' ' C ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -138.94 169.93 16.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.422 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -161.27 142.22 11.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m -67.3 130.78 44.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.602 1.189 . . . . 0.0 110.388 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.1 m -95.33 173.22 7.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 108.302 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' GLU . 73.4 p -60.25 -157.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.051 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.3 57.41 0.44 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.471 1.107 . . . . 0.0 111.07 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.439 ' HG2' ' N ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -139.48 139.6 37.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.293 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.834 ' CA ' HD13 ' A' ' 1' ' ' LEU . 22.4 p -121.3 52.79 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.472 ' ND2' ' C ' ' A' ' 21' ' ' THR . 4.4 m-80 -152.74 156.9 40.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.484 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 8.9 m -144.92 155.39 43.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 108.294 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.613 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 4.7 p90 -133.98 160.47 37.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.511 ' O ' HD12 ' A' ' 51' ' ' LEU . 5.6 mttp -123.4 155.15 37.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 12.4 ptpt -148.56 131.86 16.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.548 ' CE2' ' HB3' ' A' ' 50' ' ' ASN . 34.3 p90 -150.57 161.11 43.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 107.976 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.674 ' CH2' HG21 ' A' ' 35' ' ' ILE . 15.8 p90 -159.78 141.09 12.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 108.0 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 76.1 p -91.15 146.89 23.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.411 ' OD2' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -115.86 -170.79 1.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 109.295 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.42 -61.14 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.639 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.75 55.61 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.411 ' HA3' ' OD2' ' A' ' 30' ' ' ASP . . . -174.74 -176.84 43.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 m -153.89 122.29 6.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.802 . . . . 0.0 110.361 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.674 HG21 ' CH2' ' A' ' 28' ' ' TRP . 3.8 mp -98.49 135.21 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.557 ' O ' ' N ' ' A' ' 8' ' ' SER . 2.0 mt -126.16 151.14 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.498 ' HG2' ' CG ' ' A' ' 7' ' ' GLN . 9.2 tm-20 -162.53 147.77 12.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.812 ' NH2' ' O ' ' A' ' 61' ' ' ASN . 2.0 mpt_? -120.11 170.89 8.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.474 ' HA3' ' CZ ' ' A' ' 24' ' ' TYR . . . -169.68 -179.92 41.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -108.71 149.92 28.31 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.71 -162.28 21.3 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.1 t -147.35 89.83 5.41 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.613 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -74.96 -179.97 5.5 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.418 1.746 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -83.82 140.18 32.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.471 ' O ' HG23 ' A' ' 45' ' ' VAL . 26.2 m -78.65 113.96 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.35 151.75 38.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.42 34.01 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.469 1.773 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.8 -7.5 62.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 110.947 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.1 t -129.72 140.02 50.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.548 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 1.5 m120 -88.54 130.32 35.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.511 HD12 ' O ' ' A' ' 25' ' ' LYS . 18.4 tp -137.96 138.8 39.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.457 ' CG ' ' NZ ' ' A' ' 25' ' ' LYS . 14.0 t-20 -129.44 146.75 51.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.2 m -128.99 140.75 51.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.256 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -153.45 162.58 41.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 108.262 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -121.11 19.86 11.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.431 ' O ' ' SG ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -107.56 145.28 33.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.382 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -64.0 143.06 58.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.572 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 0.1 OUTLIER 48.49 25.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 56' ' ' THR . 29.7 p -68.24 -28.76 67.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 108.309 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.556 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 15.3 p30 -89.53 89.23 7.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.364 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.812 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 13.7 t30 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.225 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.785 HD13 ' CA ' ' A' ' 21' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.662 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 13.6 pt-20 -96.27 120.7 37.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.61 1.194 . . . . 0.0 110.301 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.184 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 72.2 m -106.91 162.23 14.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 108.294 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.597 ' CD2' ' HG3' ' A' ' 58' ' ' ARG . 1.0 OUTLIER -67.5 160.57 27.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.601 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -130.31 -46.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.527 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.1 OUTLIER -39.33 148.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.453 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 8.7 tm0? -127.03 151.15 48.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.353 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m 62.46 -96.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 p -135.78 39.12 2.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.953 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.538 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.3 OUTLIER -71.95 177.61 1.64 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.538 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -74.89 174.6 12.47 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.504 1.792 . . . . 0.0 110.963 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 106.58 2.3 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.566 1.824 . . . . 0.0 110.99 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.2 p -141.42 139.93 33.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.643 HG21 ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -129.5 174.75 9.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.439 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.12 140.44 7.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 22.0 m -75.71 133.38 40.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.395 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.8 m -97.88 156.0 16.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 108.247 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 19' ' ' GLY . 3.7 t -103.59 150.48 23.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' SER . . . 34.84 42.9 0.37 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' A' ' 41' ' ' GLY . 1.0 OUTLIER -161.4 140.8 10.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 110.313 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.785 ' CA ' HD13 ' A' ' 1' ' ' LEU . 23.2 p -137.98 47.81 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.502 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.463 ' ND2' ' C ' ' A' ' 21' ' ' THR . 3.7 m-80 -149.83 152.95 35.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.5 m -145.93 150.74 36.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 108.311 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.599 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 15.9 p90 -139.89 156.28 46.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.447 1.092 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HD2' ' H ' ' A' ' 61' ' ' ASN . 1.7 pttm -128.01 143.69 51.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 10.7 ptmt -139.6 148.05 41.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.403 1.064 . . . . 0.0 109.369 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.46 ' HB2' HD13 ' A' ' 36' ' ' ILE . 17.1 p90 -150.46 159.18 44.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 108.01 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 7.7 p90 -160.89 131.26 5.18 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.0 p -82.89 149.95 26.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.449 ' OD1' ' C ' ' A' ' 33' ' ' GLY . 4.9 p-10 -113.18 -163.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -47.52 -61.6 1.84 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.594 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.35 57.27 1.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.349 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.449 ' C ' ' OD1' ' A' ' 30' ' ' ASP . . . -172.03 -173.16 38.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.452 HG22 HD11 ' A' ' 36' ' ' ILE . 3.0 m -149.35 119.88 7.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 0.741 . . . . 0.0 110.442 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.41 ' O ' HD13 ' A' ' 36' ' ' ILE . 4.1 mt -99.81 141.13 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.46 HD13 ' HB2' ' A' ' 27' ' ' TRP . 4.9 mm -124.02 151.56 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.407 ' OE2' ' O ' ' A' ' 38' ' ' ARG . 30.5 tp10 -153.44 141.44 20.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 110.238 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -140.83 162.49 35.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.351 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -178.8 -178.0 47.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 1.184 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.9 OUTLIER -94.76 171.7 8.62 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.506 ' N ' ' OE1' ' A' ' 20' ' ' GLU . . . 81.75 -160.5 41.29 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.436 1.085 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.4 t -153.74 90.27 3.37 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.599 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -74.94 178.89 6.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.559 1.82 . . . . 0.0 111.041 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.93 127.55 33.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.732 HG23 ' HB3' ' A' ' 51' ' ' LEU . 10.0 p -78.92 114.88 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.383 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -91.57 157.46 41.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.578 1.174 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 135.28 18.73 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.472 1.775 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.8 -29.52 11.19 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.475 1.109 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 74.6 t -110.67 141.56 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.431 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 81.5 m-20 -88.66 131.1 35.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.732 ' HB3' HG23 ' A' ' 45' ' ' VAL . 8.2 tp -150.65 131.3 13.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.565 ' N ' HD12 ' A' ' 51' ' ' LEU . 5.9 t-20 -129.77 133.85 47.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.8 m -106.09 142.31 36.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 108.293 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.95 159.58 44.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 108.3 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -108.69 16.25 23.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.475 ' O ' ' SG ' ' A' ' 59' ' ' CYS . 1.2 p -103.11 143.1 33.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 110.368 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 1.9 m-20 -65.56 145.76 55.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.597 ' HG3' ' CD2' ' A' ' 4' ' ' HIS . 4.9 ttp180 49.15 22.33 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.475 ' SG ' ' O ' ' A' ' 56' ' ' THR . 15.4 p -72.68 -22.18 60.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.491 1.119 . . . . 0.0 108.401 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 7.2 p-10 -89.87 90.75 8.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 1.124 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 7.5 t-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.521 ' CD2' ' SG ' ' A' ' 23' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.488 ' CB ' ' OD1' ' A' ' 57' ' ' ASP . 1.7 tt0 -94.31 114.3 26.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.259 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 71.9 m -102.52 159.18 15.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.453 1.096 . . . . 0.0 108.34 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.656 ' CD2' ' CG ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -68.94 165.21 20.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.597 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -127.86 -46.62 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.549 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -38.31 144.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.341 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.435 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -120.64 153.78 36.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m 57.41 -95.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 p -135.01 42.53 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.55 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -73.57 178.47 1.54 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.55 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.0 Cg_endo -75.09 175.15 11.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.456 1.767 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 105.21 2.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.518 1.799 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.4 p -141.48 139.39 33.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.378 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 3' ' ' CYS . 0.7 OUTLIER -132.38 170.78 14.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.553 1.158 . . . . 0.0 110.364 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -157.33 156.26 32.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -81.59 137.92 35.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 33.4 m -90.29 167.97 12.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 108.329 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -83.25 -161.61 0.52 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.018 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -38.4 -28.46 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.102 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.516 ' OE2' ' CA ' ' A' ' 41' ' ' GLY . 2.6 tt0 -78.37 133.26 37.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 0.0 110.229 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 21' ' ' THR . 10.1 t -121.05 72.25 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -147.6 160.99 42.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.521 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 99.3 m -141.7 140.16 33.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.534 1.146 . . . . 0.0 108.293 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.58 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 1.7 p90 -140.13 156.63 46.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.777 ' O ' HD12 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -131.03 141.86 50.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -140.35 131.81 26.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.512 ' CE2' ' HB3' ' A' ' 50' ' ' ASN . 23.9 p90 -142.51 159.3 42.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 107.992 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.5 p90 -160.6 133.89 6.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 108.003 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.9 p -87.5 138.21 31.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.045 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.427 ' OD2' ' HA3' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -101.49 -170.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 109.283 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.8 -61.22 2.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.556 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.54 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 1.9 ttp-105 -134.78 56.48 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.347 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.427 ' HA3' ' OD2' ' A' ' 30' ' ' ASP . . . -177.45 -176.91 45.9 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.2 m -152.72 119.87 5.85 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.534 0.785 . . . . 0.0 110.438 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.8 mm -100.15 140.45 19.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.589 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.5 mp -125.82 150.31 31.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.39 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.417 ' HG2' ' CG ' ' A' ' 7' ' ' GLN . 4.7 tm-20 -149.76 148.64 29.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.589 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 2.1 mpt_? -144.65 161.3 39.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.62 -178.37 48.38 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.471 ' O ' ' CE2' ' A' ' 24' ' ' TYR . 6.8 m -86.62 168.0 14.03 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.516 ' CA ' ' OE2' ' A' ' 20' ' ' GLU . . . 82.16 -160.25 40.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.546 1.154 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.17 100.13 1.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.574 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -74.97 -178.3 4.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.525 1.802 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.95 136.73 35.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 45' ' ' VAL . 13.9 m -79.03 113.41 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.74 151.91 37.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 140.01 24.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.6 -15.5 61.89 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.5 t -124.3 147.91 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.409 0.711 . . . . 0.0 109.253 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.512 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 63.4 m-80 -94.89 132.18 39.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.777 HD12 ' O ' ' A' ' 25' ' ' LYS . 34.6 tp -145.06 142.43 29.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.482 ' H ' HD12 ' A' ' 51' ' ' LEU . 11.4 t-20 -132.09 149.21 52.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.2 m -121.68 139.72 53.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.413 ' SG ' ' HE3' ' A' ' 25' ' ' LYS . 5.1 p -160.74 166.12 29.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 108.271 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -129.35 29.22 5.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.474 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -102.37 148.37 25.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.373 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.488 ' OD1' ' CB ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -66.27 131.3 45.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.241 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.656 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 43.9 ttp85 55.45 28.69 12.0 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.537 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 1.7 p -71.43 -12.66 61.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 108.308 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.547 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -89.17 87.45 7.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.405 ' OXT' ' CG ' ' A' ' 61' ' ' ASN . 15.7 p-10 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.758 HD13 ' HA ' ' A' ' 21' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -91.55 119.62 31.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.679 ' SG ' HD23 ' A' ' 1' ' ' LEU . 70.8 m -125.95 169.92 12.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.316 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.629 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 56.0 m-70 -71.48 158.8 35.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.546 1.154 . . . . 0.0 109.598 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.562 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 1.4 p30 -128.28 -40.13 1.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.537 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 1.5 pt20 -40.17 152.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.464 ' HG2' ' N ' ' A' ' 8' ' ' SER . 39.1 tt0 -130.13 149.45 51.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.464 ' N ' ' HG2' ' A' ' 7' ' ' GLN . 1.7 m 67.05 -97.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.028 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.67 30.04 3.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.518 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -62.05 178.79 0.3 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.518 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -75.02 170.59 20.07 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.537 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 18.2 Cg_endo -75.01 94.61 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.562 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 1.1 p -124.8 144.53 50.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.379 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 3' ' ' CYS . 0.4 OUTLIER -127.36 175.03 8.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -166.24 146.47 6.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -91.89 129.25 37.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.347 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.6 m -92.74 160.13 15.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 108.262 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.8 m -111.63 145.64 38.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 110.049 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 43.88 28.21 1.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.555 1.16 . . . . 0.0 111.037 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.412 ' OE1' ' HA ' ' A' ' 20' ' ' GLU . 5.6 tp10 -140.91 131.41 25.36 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.503 0.766 . . . . 0.0 110.386 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.758 ' HA ' HD13 ' A' ' 1' ' ' LEU . 6.3 t -128.98 38.7 3.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.47 HD21 ' NH2' ' A' ' 55' ' ' ARG . 7.6 m-80 -148.04 149.36 31.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.447 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 6.9 m -152.29 149.01 28.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 108.322 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.685 ' CD2' HD11 ' A' ' 51' ' ' LEU . 18.0 p90 -140.89 158.88 43.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.722 ' HD3' ' H ' ' A' ' 61' ' ' ASN . 4.8 pttp -124.8 142.38 51.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.519 ' HB3' HD12 ' A' ' 51' ' ' LEU . 1.3 ptpt -131.78 143.7 50.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 22.1 p90 -149.34 158.58 44.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 108.022 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.723 ' CZ2' HG21 ' A' ' 35' ' ' ILE . 30.8 p90 -160.82 134.7 6.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 108.042 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 m -84.24 137.55 33.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.465 1.103 . . . . 0.0 109.95 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.75 -170.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -48.05 -62.83 1.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.547 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.529 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 5.1 ttt180 -133.39 54.46 1.95 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.95 -172.59 42.56 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.1 m -149.93 124.68 9.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 0.735 . . . . 0.0 110.384 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.723 HG21 ' CZ2' ' A' ' 28' ' ' TRP . 94.6 mt -97.78 139.76 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.431 ' HB ' ' CA ' ' A' ' 8' ' ' SER . 5.7 mm -124.16 151.34 29.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -156.05 146.53 21.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.579 ' CZ ' ' HA ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -147.39 157.79 43.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.72 177.19 48.04 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.447 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.3 m -84.37 169.14 14.92 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.22 -169.05 37.54 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -161.77 79.66 2.03 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 177.29 8.8 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.501 1.79 . . . . 0.0 110.965 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.71 106.63 17.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.723 HG21 ' CB ' ' A' ' 51' ' ' LEU . 12.4 p -78.51 119.74 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.405 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.401 ' CE ' ' HD2' ' A' ' 47' ' ' PRO . 0.3 OUTLIER -77.36 170.52 15.93 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.401 ' HD2' ' CE ' ' A' ' 46' ' ' LYS . 18.3 Cg_endo -75.05 146.2 32.2 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.453 1.765 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.33 -31.84 7.31 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.564 1.165 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.408 HG13 ' HB3' ' A' ' 28' ' ' TRP . 58.8 t -112.05 151.15 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.781 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -96.52 140.22 31.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.723 ' CB ' HG21 ' A' ' 45' ' ' VAL . 8.5 tt -157.84 147.46 20.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.606 ' N ' HD23 ' A' ' 51' ' ' LEU . 46.7 t-20 -136.31 137.09 40.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.7 m -113.08 140.61 47.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 108.323 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -158.16 163.23 37.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 108.353 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.47 ' NH2' HD21 ' A' ' 22' ' ' ASN . 21.7 mtp85 -118.16 22.38 12.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.456 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -103.77 146.9 27.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.382 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.1 140.05 58.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.629 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 1.8 mtp-105 48.52 28.75 1.84 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.448 1.092 . . . . 0.0 110.268 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.456 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 13.0 p -81.39 -24.28 37.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 108.253 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.419 ' ND2' ' HB3' ' A' ' 23' ' ' CYS . 42.8 p-10 -94.76 84.71 4.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.722 ' H ' ' HD3' ' A' ' 25' ' ' LYS . 10.1 t-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.252 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.85 HD13 ' HA ' ' A' ' 21' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.579 ' HG3' HG22 ' A' ' 14' ' ' THR . 2.7 pt-20 -102.66 130.15 49.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.3 m -115.89 175.82 5.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 108.327 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.671 ' CD2' ' HB3' ' A' ' 61' ' ' ASN . 9.6 m-70 -66.93 169.19 8.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.561 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -131.12 -44.58 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.61 ' NE2' HH22 ' A' ' 38' ' ' ARG . 0.0 OUTLIER -40.82 151.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.505 ' OE1' ' CB ' ' A' ' 8' ' ' SER . 1.6 tm0? -124.9 145.25 49.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.226 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.505 ' CB ' ' OE1' ' A' ' 7' ' ' GLN . 1.8 m 64.73 -97.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.031 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.9 m -133.61 35.37 3.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.068 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.557 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -66.95 -178.67 0.36 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.557 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -75.05 173.47 14.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.8 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 109.45 2.93 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.785 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.6 p -142.16 136.67 30.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.399 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.579 HG22 ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -126.73 164.4 21.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.44 168.76 7.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.7 m -71.02 137.29 48.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -84.91 172.61 11.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.587 1.18 . . . . 0.0 108.293 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' GLU . 5.8 m -73.14 -160.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.966 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.63 57.69 0.49 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.481 ' OE1' ' N ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -147.22 155.18 41.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 0.764 . . . . 0.0 110.29 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.85 ' HA ' HD13 ' A' ' 1' ' ' LEU . 2.5 t -117.92 28.66 8.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.441 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.603 HD21 HG23 ' A' ' 21' ' ' THR . 4.2 m-80 -152.15 158.46 42.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 90.5 m -146.1 155.54 42.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 108.269 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.559 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 27.5 p90 -138.1 160.9 38.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.508 ' CD ' ' HA ' ' A' ' 60' ' ' ASN . 1.0 OUTLIER -116.31 156.37 26.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -151.83 128.4 10.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.537 ' CE2' ' HB3' ' A' ' 50' ' ' ASN . 13.9 p90 -148.44 162.02 40.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.404 ' CZ2' HD13 ' A' ' 35' ' ' ILE . 13.4 p90 -158.55 138.35 12.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 108.039 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 m -83.68 143.85 29.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 32' ' ' ARG . 2.3 p30 -113.25 -162.6 0.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -49.81 -62.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.642 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.45 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 31.8 mtt180 -139.59 53.06 1.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.429 ' CA ' ' OD2' ' A' ' 30' ' ' ASP . . . -170.62 -174.29 38.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.6 m -153.84 126.24 8.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 110.351 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 27' ' ' TRP . 3.1 mt -100.39 137.52 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.402 ' HB ' ' O ' ' A' ' 8' ' ' SER . 19.4 mt -131.01 147.75 33.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.454 ' OE1' ' CG ' ' A' ' 7' ' ' GLN . 33.5 tp10 -157.98 149.23 21.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.715 ' NH2' ' HA ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -132.14 166.75 21.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.36 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.13 -179.07 47.31 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 3.5 m -90.05 175.73 7.06 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.422 ' HA2' ' CD ' ' A' ' 20' ' ' GLU . . . 76.07 -165.14 53.99 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 40.6 t -155.22 92.82 2.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.559 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -75.03 -179.24 4.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.446 1.761 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -83.22 133.69 35.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.528 HG12 HD22 ' A' ' 51' ' ' LEU . 32.7 m -79.13 113.54 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.085 . . . . 0.0 109.254 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.17 151.7 47.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.253 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 141.16 26.22 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.522 1.801 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.2 -32.59 5.82 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.576 1.172 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.2 t -102.09 142.49 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.537 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -85.34 133.75 34.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 109.284 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.528 HD22 HG12 ' A' ' 45' ' ' VAL . 3.6 tt -156.58 133.5 10.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 24' ' ' TYR . 12.4 t-20 -129.89 145.2 51.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.246 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.0 m -121.61 142.41 50.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 108.302 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.8 p -155.07 163.54 40.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 108.312 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.497 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 3.6 mtt85 -123.11 22.73 9.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.452 ' O ' ' SG ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -106.17 145.11 31.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 0.9 OUTLIER -60.93 139.71 57.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.336 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.667 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 40.9 ttp180 47.71 31.5 2.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 110.3 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 56' ' ' THR . 16.0 p -81.35 -22.67 38.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 108.334 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.508 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 39.9 p-10 -93.93 88.28 5.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.715 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 8.9 p-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.434 HD23 ' SG ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -94.9 118.97 32.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 14' ' ' THR . 56.4 m -128.77 169.6 14.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.308 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.606 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 92.9 m-70 -75.84 157.34 33.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.548 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 6' ' ' GLN . 1.3 p30 -119.89 -37.71 3.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.574 ' NE2' HH22 ' A' ' 38' ' ' ARG . 0.0 OUTLIER -36.57 149.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.091 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.431 ' HG2' ' N ' ' A' ' 8' ' ' SER . 34.9 tt0 -124.17 151.19 44.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.431 ' N ' ' HG2' ' A' ' 7' ' ' GLN . 1.7 m 62.32 -97.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.944 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 p -136.17 35.93 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.406 1.066 . . . . 0.0 110.021 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.556 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -66.71 -178.65 0.35 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.556 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.5 Cg_endo -74.98 170.42 20.45 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.537 1.809 . . . . 0.0 111.05 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.87 2.82 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.526 1.803 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.548 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 1.8 p -140.87 138.25 33.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.427 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -125.07 169.39 12.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 110.413 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.477 ' HZ3' ' C ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -167.46 149.83 5.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.477 ' C ' ' HZ3' ' A' ' 15' ' ' LYS . 19.0 m -87.32 132.12 34.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.398 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.408 ' SG ' ' NZ ' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -91.35 152.44 20.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 108.313 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.1 p -102.57 149.64 24.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.065 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 39.71 38.57 1.12 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.549 1.156 . . . . 0.0 111.033 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -157.3 135.97 11.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.418 ' C ' HD13 ' A' ' 1' ' ' LEU . 5.4 t -131.7 38.23 3.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.359 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -146.61 163.48 35.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.585 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 97.6 m -150.6 147.44 27.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 108.38 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.58 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 43.4 p90 -134.96 156.18 49.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.943 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.84 ' O ' HD22 ' A' ' 51' ' ' LEU . 7.8 mttm -109.5 148.91 30.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.458 ' HB3' HD23 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -147.72 127.97 13.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.428 1.08 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.575 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 22.8 p90 -151.32 159.84 44.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 107.989 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 9.4 p90 -160.28 143.24 13.49 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.0 p -80.18 137.58 36.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.945 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 32' ' ' ARG . 2.3 p30 -101.58 -161.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -49.73 -62.64 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.613 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.421 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 4.0 mtt180 -139.55 53.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.59 -175.14 40.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.602 1.189 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.568 HG22 HD11 ' A' ' 36' ' ' ILE . 4.2 m -136.62 123.56 21.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 0.8 . . . . 0.0 110.468 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.4 mt -95.52 133.26 37.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.568 HD11 HG22 ' A' ' 34' ' ' THR . 6.2 mm -119.38 147.75 22.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 38' ' ' ARG . 48.6 tp10 -161.49 156.55 23.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.574 HH22 ' NE2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -131.29 176.72 8.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.578 1.174 . . . . 0.0 110.239 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.513 ' HA3' ' CZ ' ' A' ' 24' ' ' TYR . . . -174.04 174.7 46.44 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.412 1.07 . . . . 0.0 111.05 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 69.0 m -104.6 148.27 26.71 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.86 -153.55 20.64 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 47.2 t -149.78 94.3 3.85 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.58 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 18.5 Cg_endo -74.95 178.64 6.97 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.23 137.35 33.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.707 HG12 HD12 ' A' ' 51' ' ' LEU . 17.0 m -78.99 113.4 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.09 153.26 37.86 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 146.78 33.35 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.485 1.782 . . . . 0.0 111.053 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.31 -10.16 64.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 66.3 t -129.67 139.16 52.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.486 0.757 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.575 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 57.6 m-80 -86.83 129.28 34.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.243 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.84 HD22 ' O ' ' A' ' 25' ' ' LYS . 2.9 tm? -137.52 133.77 34.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.416 ' N ' HD13 ' A' ' 51' ' ' LEU . 6.5 t-20 -132.47 149.12 52.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 55.0 m -125.1 142.42 51.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 108.29 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.9 p -154.63 164.41 38.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.598 1.186 . . . . 0.0 108.26 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -129.52 21.67 5.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.427 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -105.74 147.85 28.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 110.391 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.43 141.02 58.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.606 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 6.4 mtm180 49.85 25.95 1.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.427 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 19.9 p -71.46 -30.64 66.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 108.317 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.585 ' ND2' ' HB3' ' A' ' 23' ' ' CYS . 33.1 p30 -98.27 87.51 3.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.599 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . 36.7 t-20 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.493 HD13 ' CA ' ' A' ' 21' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.671 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 3.0 tt0 -97.4 120.2 37.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.352 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.578 ' O ' HG22 ' A' ' 14' ' ' THR . 94.1 m -121.32 160.81 23.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 108.284 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 22.9 m-70 -74.0 163.28 28.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.56 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' GLN . 1.3 m-20 -130.68 -43.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.547 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.2 OUTLIER -37.65 145.71 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.513 ' CG ' ' OE1' ' A' ' 37' ' ' GLU . 0.2 OUTLIER -125.38 153.38 43.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.487 ' O ' HD13 ' A' ' 36' ' ' ILE . 1.6 m 58.69 -95.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 110.035 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.98 44.83 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 109.94 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.517 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.0 mt-30 -77.82 177.53 2.69 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.547 ' O ' ' HB3' ' A' ' 6' ' ' GLN . 18.2 Cg_endo -74.97 173.56 14.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 0.0 111.043 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 92.95 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 p -124.71 138.6 54.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -127.87 172.77 10.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.377 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -157.68 158.79 36.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.358 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.8 m -98.67 128.17 44.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.341 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.3 m -100.01 149.31 23.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 108.308 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.07 155.45 41.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.55 -48.5 3.68 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.586 1.178 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.564 ' OE2' ' N ' ' A' ' 41' ' ' GLY . 0.0 OUTLIER -114.71 141.42 47.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.528 ' N ' ' HG2' ' A' ' 20' ' ' GLU . 67.0 p -117.66 51.01 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.399 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.455 ' ND2' ' C ' ' A' ' 21' ' ' THR . 3.3 m-80 -148.65 156.81 42.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.242 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 58.3 m -150.98 157.73 43.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 108.289 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.57 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 17.1 p90 -141.36 162.28 35.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.093 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -123.37 153.56 40.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 10.3 ptmt -150.52 136.16 18.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 18.3 p90 -150.14 162.36 40.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 108.027 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.0 p90 -160.08 134.77 7.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 107.99 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.6 p -89.53 143.8 26.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.597 1.185 . . . . 0.0 109.946 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 33' ' ' GLY . 1.1 p-10 -105.42 -170.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -47.53 -63.42 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.607 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.534 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 2.8 ttm180 -132.4 55.75 1.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -170.97 -177.06 40.61 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.2 m -154.13 118.44 4.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 0.0 110.364 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.1 mt -100.9 140.08 20.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.424 1.078 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.487 HD13 ' O ' ' A' ' 8' ' ' SER . 4.3 mp -123.54 150.29 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.513 ' OE1' ' CG ' ' A' ' 7' ' ' GLN . 7.0 tp10 -151.66 141.66 22.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.81 ' NH2' ' O ' ' A' ' 61' ' ' ASN . 1.8 mpt_? -147.72 153.84 39.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.24 -174.46 43.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.2 m -91.37 161.5 14.98 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.564 ' N ' ' OE2' ' A' ' 20' ' ' GLU . . . 101.33 -172.99 23.67 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.3 t -154.08 78.93 5.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.57 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -74.98 -179.71 5.25 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 111.045 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -83.72 137.71 33.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.611 HG23 ' HB3' ' A' ' 51' ' ' LEU . 13.9 p -78.36 113.06 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.18 160.55 65.28 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 149.31 36.24 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.47 1.773 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 71.08 4.08 54.45 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.7 t -130.18 138.94 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.786 . . . . 0.0 109.369 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.466 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -89.94 132.76 35.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.234 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.611 ' HB3' HG23 ' A' ' 45' ' ' VAL . 3.5 tt -151.82 137.65 18.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -138.54 138.12 37.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.3 m -107.28 145.19 33.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.428 1.08 . . . . 0.0 108.345 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -153.87 159.86 41.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 108.294 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -115.13 11.79 16.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.243 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.484 ' O ' ' SG ' ' A' ' 59' ' ' CYS . 1.4 p -98.93 143.51 29.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 110.404 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.671 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 11.9 m-20 -66.69 147.16 53.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.518 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 11.3 mtm180 51.6 19.95 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 110.36 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 56' ' ' THR . 16.6 p -71.02 -24.26 62.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 108.331 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.439 ' C ' ' HG2' ' A' ' 38' ' ' ARG . 23.9 p30 -98.33 78.49 2.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 1.034 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 4.4 t-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 21' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.592 ' HG3' HG21 ' A' ' 14' ' ' THR . 8.1 pt-20 -100.95 125.01 47.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.595 ' O ' HG22 ' A' ' 14' ' ' THR . 72.3 m -103.45 167.44 9.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 108.345 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.608 ' CD2' ' CG ' ' A' ' 58' ' ' ARG . 0.8 OUTLIER -69.13 167.34 16.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.61 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -130.11 -43.56 1.19 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.507 ' CB ' ' HB3' ' A' ' 10' ' ' GLN . 1.0 OUTLIER -48.78 147.97 2.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.259 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -125.35 156.72 38.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.406 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 1.8 m 58.97 -97.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.917 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.63 42.09 2.85 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 110.065 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.542 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -75.29 177.6 2.26 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.542 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -74.99 174.5 12.67 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.499 1.789 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 107.08 2.4 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.554 1.818 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.8 p -142.1 138.98 32.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.409 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -132.92 172.07 13.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.65 155.78 7.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.353 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -64.18 136.09 56.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.409 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 3' ' ' CYS . 1.2 m -91.56 174.29 7.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 108.344 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 20' ' ' GLU . 5.5 t -82.76 -149.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.592 1.182 . . . . 0.0 109.984 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.36 57.12 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -136.77 158.23 44.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 0.803 . . . . 0.0 110.329 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.607 HG23 ' ND2' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -135.12 19.12 3.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.607 ' ND2' HG23 ' A' ' 21' ' ' THR . 1.7 m-80 -143.08 148.99 37.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.461 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 13.6 m -133.64 142.75 48.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 108.239 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.513 ' CZ ' ' HG3' ' A' ' 43' ' ' PRO . 7.0 p90 -132.65 160.63 36.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.728 ' HZ1' ' H ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -121.84 160.0 25.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.352 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -151.22 136.97 18.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.555 ' CE2' ' CB ' ' A' ' 50' ' ' ASN . 24.1 p90 -149.35 159.7 44.05 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.424 ' HB3' HG13 ' A' ' 49' ' ' VAL . 11.1 p90 -160.16 143.97 14.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 108.009 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.6 p -85.38 156.04 21.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.089 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.96 -166.13 1.35 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -62.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.585 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.96 51.08 2.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.404 1.065 . . . . 0.0 110.316 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.86 -171.07 35.81 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.562 1.164 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.7 m -153.23 120.01 5.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 0.777 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.5 mm -97.76 138.78 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.497 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.2 mp -129.27 150.0 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -151.82 152.77 33.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.759 ' NH2' ' O ' ' A' ' 61' ' ' ASN . 2.0 mpt_? -146.45 149.77 34.32 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.17 -175.55 41.05 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.6 OUTLIER -88.7 173.95 8.3 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.56 -169.09 35.35 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.9 t -158.79 86.24 2.33 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.712 ' HG2' HD11 ' A' ' 51' ' ' LEU . 18.3 Cg_endo -75.0 179.5 6.02 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.543 1.812 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -83.7 135.56 34.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 45' ' ' VAL . 8.2 p -79.14 112.03 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.409 1.068 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.81 154.48 42.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 140.99 26.14 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.536 1.809 . . . . 0.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.63 -11.83 69.49 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.541 1.151 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.424 HG13 ' HB3' ' A' ' 28' ' ' TRP . 97.0 t -128.07 146.31 33.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 0.792 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.555 ' CB ' ' CE2' ' A' ' 27' ' ' TRP . 1.2 m120 -90.91 134.1 34.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.712 HD11 ' HG2' ' A' ' 43' ' ' PRO . 5.9 tt -152.05 134.91 15.59 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.508 ' N ' HD23 ' A' ' 51' ' ' LEU . 13.1 t-20 -140.24 142.17 35.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 68.3 m -115.51 147.49 40.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 108.284 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -151.18 163.4 38.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 108.307 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.491 ' CZ ' ' OD1' ' A' ' 22' ' ' ASN . 9.1 mtp85 -117.71 19.99 13.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.457 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -105.71 144.19 32.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.358 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.74 140.64 58.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.219 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.608 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 3.6 ttp180 48.04 29.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.457 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 26.6 p -72.08 -24.87 61.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.347 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.468 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 10.5 p30 -92.72 83.97 4.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.759 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 8.7 p-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.558 HD23 ' SG ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.489 ' HG2' ' CG2' ' A' ' 14' ' ' THR . 4.8 tt0 -98.5 119.03 36.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.558 ' SG ' HD23 ' A' ' 1' ' ' LEU . 91.8 m -131.13 168.12 17.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 108.266 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.734 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 92.5 m-70 -70.67 162.53 28.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.602 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -130.06 -38.73 1.41 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.502 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 2.1 pt20 -41.68 154.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.418 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 11.4 pt20 -138.21 156.31 47.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.544 ' O ' HD13 ' A' ' 36' ' ' ILE . 1.7 m 66.01 -93.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.3 p -141.12 35.92 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.485 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -72.73 177.24 1.96 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -75.01 170.75 19.72 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.524 1.802 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.502 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 18.2 Cg_endo -74.97 84.05 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.798 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 p -110.22 140.84 43.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.489 ' CG2' ' HG2' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -127.38 171.13 11.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.12 152.3 12.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.1 m -93.48 132.98 37.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.419 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.8 m -99.84 152.4 20.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.262 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.28 131.25 56.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.037 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.56 -50.09 4.17 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -80.01 123.58 27.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 110.235 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.459 ' C ' ' ND2' ' A' ' 22' ' ' ASN . 7.2 t -114.59 39.38 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.459 ' ND2' ' C ' ' A' ' 21' ' ' THR . 3.0 m-80 -148.37 157.08 43.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.49 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 1.6 m -146.58 152.63 39.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 108.277 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.63 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 40.1 p90 -140.38 160.32 40.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -130.74 136.11 48.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 6.4 ptpt -131.43 139.9 49.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 20.8 p90 -150.64 158.3 43.99 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.513 ' CH2' HG21 ' A' ' 35' ' ' ILE . 9.2 p90 -162.06 134.92 5.98 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -85.84 148.61 25.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 33' ' ' GLY . 2.6 p30 -117.52 -161.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -46.13 -69.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.588 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -133.69 57.2 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 30' ' ' ASP . . . -174.2 -178.41 44.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 m -147.54 120.39 8.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 0.0 110.422 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.513 HG21 ' CH2' ' A' ' 28' ' ' TRP . 3.1 mp -95.41 132.75 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.63 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.8 mp -130.38 145.92 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 38' ' ' ARG . 7.4 tp10 -158.23 138.04 12.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.63 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 1.2 mpt_? -130.44 167.95 17.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.43 -175.41 47.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.566 1.166 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 1.2 m -94.66 157.61 15.89 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.63 -159.9 19.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.0 t -160.37 94.49 1.56 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.63 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.5 Cg_endo -75.0 -179.21 4.77 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.472 1.775 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.11 135.43 34.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.8 p -78.85 112.88 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.56 151.42 37.44 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 135.16 18.71 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.13 -26.28 23.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.546 1.154 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 88.9 t -113.25 140.89 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.5 OUTLIER -88.76 134.12 34.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.8 tp -149.86 142.55 24.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -140.17 131.34 26.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 35.6 m -109.33 143.53 38.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 108.296 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -156.43 163.84 38.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 108.306 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -118.94 21.81 12.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.242 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.473 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -101.16 148.18 25.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.388 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.1 137.8 58.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.556 ' HD3' ' CE1' ' A' ' 4' ' ' HIS . 6.5 mtm180 47.88 30.09 1.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.473 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 14.5 p -76.06 -19.03 58.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 108.331 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 39.1 p-10 -97.98 79.67 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.734 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . 13.9 t30 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.475 HD13 ' OG1' ' A' ' 21' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -104.14 127.13 51.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.9 m -129.07 173.02 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 108.28 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.613 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 93.2 m-70 -79.01 160.24 27.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.403 1.065 . . . . 0.0 109.54 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.509 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -123.54 -33.14 3.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.553 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.6 OUTLIER -37.41 145.63 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.448 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -119.89 147.15 45.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.317 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m 62.95 -97.1 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 m -132.42 35.62 3.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.943 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.579 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 1.9 mt-30 -65.42 179.94 0.39 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.245 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.579 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.1 Cg_endo -75.03 170.82 19.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.535 1.808 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 83.81 1.77 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.467 1.772 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.509 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 3.1 p -112.15 139.04 48.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 110.369 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -123.91 171.33 9.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.358 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.79 158.07 12.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 m -94.43 132.86 38.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.329 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.3 m -90.31 156.03 18.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 108.286 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 19' ' ' GLY . 8.0 m -95.81 130.16 42.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 18' ' ' SER . . . 37.15 49.56 1.57 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 21' ' ' THR . 5.4 tp10 -149.92 128.23 12.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.475 ' OG1' HD13 ' A' ' 1' ' ' LEU . 5.0 t -123.42 31.94 5.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.433 1.083 . . . . 0.0 110.385 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -141.95 153.49 44.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 99.9 m -149.6 156.55 42.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.173 . . . . 0.0 108.326 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.593 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 29.2 p90 -140.93 160.03 40.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.707 ' HZ1' ' H ' ' A' ' 61' ' ' ASN . 2.7 mtpp -116.91 138.46 51.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.577 1.173 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -135.76 129.46 32.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.544 ' CE2' ' HB3' ' A' ' 50' ' ' ASN . 25.8 p90 -151.0 161.77 42.1 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 12.9 p90 -159.88 136.68 9.22 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -81.6 145.38 30.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.43 ' OD2' ' CA ' ' A' ' 33' ' ' GLY . 2.8 p30 -109.67 -163.18 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -49.37 -64.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.6 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.2 52.35 1.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 110.364 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.43 ' CA ' ' OD2' ' A' ' 30' ' ' ASP . . . -166.66 -171.77 33.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.538 1.149 . . . . 0.0 111.048 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 m -150.89 120.32 6.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.471 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.8 mt -97.51 134.91 33.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 36' ' ' ILE . 3.9 mp -126.35 150.79 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 38' ' ' ARG . 4.9 tp10 -160.05 132.3 6.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.327 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 1.175 ' NH2' ' O ' ' A' ' 61' ' ' ASN . 1.7 mpt_? -123.51 153.46 40.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.62 -177.33 40.05 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.546 1.153 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -91.9 160.26 15.37 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.87 -172.02 23.23 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.439 1.087 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 47.0 t -152.35 88.97 3.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.593 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.5 Cg_endo -74.96 177.17 8.93 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.473 1.775 . . . . 0.0 111.098 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.464 ' C ' HD23 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -83.65 138.94 33.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.749 ' HA ' HD23 ' A' ' 51' ' ' LEU . 11.7 p -78.52 114.21 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.81 152.93 38.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.4 1.063 . . . . 0.0 109.348 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 135.03 18.69 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.4 -24.85 30.57 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.11 . . . . 0.0 111.006 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 90.7 t -114.93 142.99 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.544 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 64.4 m-80 -88.57 130.08 35.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.749 HD23 ' HA ' ' A' ' 45' ' ' VAL . 17.3 tp -145.3 131.8 19.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -133.28 148.35 51.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 63.0 m -121.25 147.78 45.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 108.342 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.4 p -156.59 164.98 37.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 108.328 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -129.5 23.27 5.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.46 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -106.68 148.08 28.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.467 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -61.73 138.43 58.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 109.387 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.613 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 11.6 mtm180 49.18 29.07 2.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 110.257 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.46 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 23.2 p -70.51 -30.46 67.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 108.303 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.507 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 35.2 p30 -97.25 79.72 2.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 1.175 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 52.8 t-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.861 HD13 ' HA ' ' A' ' 21' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.602 ' HG3' HG21 ' A' ' 14' ' ' THR . 2.8 pt-20 -104.76 124.84 50.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.174 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 63.5 m -114.93 162.72 16.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 108.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.562 ' CE1' ' HD3' ' A' ' 58' ' ' ARG . 30.7 m-70 -78.12 157.85 29.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.609 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.535 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 0.5 OUTLIER -120.37 -40.91 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.419 ' OE1' ' O ' ' A' ' 11' ' ' PRO . 0.4 OUTLIER -46.79 151.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.408 ' CB ' ' OE1' ' A' ' 37' ' ' GLU . 7.1 pm0 -139.5 160.54 39.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.405 ' CA ' ' HB ' ' A' ' 36' ' ' ILE . 1.9 m 65.47 -94.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 109.965 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.28 31.33 1.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.455 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -67.98 175.59 1.69 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 110.326 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -74.94 172.74 15.76 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.467 1.772 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 109.74 2.99 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.496 1.787 . . . . 0.0 111.043 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.535 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 1.7 p -140.56 140.9 35.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.429 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.602 HG21 ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -140.65 169.05 18.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.478 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -167.48 157.81 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.9 m -77.22 130.69 37.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.7 m -89.94 169.21 11.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 108.324 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 20' ' ' GLU . 12.8 m -68.25 -149.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.043 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.27 57.05 0.18 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.12 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.9 OUTLIER -127.5 141.78 51.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 0.765 . . . . 0.0 110.307 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.861 ' HA ' HD13 ' A' ' 1' ' ' LEU . 50.4 p -127.23 31.17 5.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.492 ' ND2' ' C ' ' A' ' 21' ' ' THR . 2.5 m-80 -149.54 154.06 38.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.52 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 31.3 m -145.19 141.69 28.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.328 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.563 ' CE2' HD11 ' A' ' 51' ' ' LEU . 15.2 p90 -134.17 159.88 39.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -124.33 153.75 41.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -144.03 145.07 31.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.571 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 19.0 p90 -150.1 159.66 44.24 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.88 ' CZ2' HG21 ' A' ' 35' ' ' ILE . 14.8 p90 -160.28 134.28 7.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 108.013 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.0 p -86.19 149.11 25.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -161.94 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -50.3 -62.84 1.35 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 109.594 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -138.02 53.07 1.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.44 -172.37 34.5 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.565 1.166 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.3 m -149.06 123.56 9.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 110.412 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.88 HG21 ' CZ2' ' A' ' 28' ' ' TRP . 40.3 mm -99.53 140.54 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.568 HD13 ' HB2' ' A' ' 27' ' ' TRP . 4.4 mm -127.4 149.87 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' OE1' ' CB ' ' A' ' 7' ' ' GLN . 41.6 tp10 -159.31 139.34 11.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 110.248 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 1.052 ' NH2' ' O ' ' A' ' 61' ' ' ASN . 2.1 mpt_? -130.52 157.78 41.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -170.05 -179.96 41.96 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.443 1.09 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 1.174 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 54.8 m -96.92 172.97 7.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.81 -157.19 33.8 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 54.0 t -160.34 85.29 1.98 Allowed Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.546 ' HD3' ' CE1' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -75.01 177.73 8.2 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.525 1.803 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.1 123.12 29.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.6 p -79.47 112.57 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -84.15 162.65 51.08 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.399 1.062 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 134.86 18.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.428 1.751 . . . . 0.0 111.043 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.15 -31.59 8.19 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 69.9 t -106.79 140.83 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.565 0.803 . . . . 0.0 109.309 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.571 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 31.7 m-80 -90.22 135.96 33.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.221 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.563 HD11 ' CE2' ' A' ' 24' ' ' TYR . 6.5 tt -156.35 138.69 14.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.446 ' N ' HD23 ' A' ' 51' ' ' LEU . 6.7 t-20 -135.89 137.41 41.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.2 m -104.4 143.65 32.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.3 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -149.27 164.08 35.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 108.3 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.449 ' NE ' ' OD1' ' A' ' 22' ' ' ASN . 53.7 mtp180 -122.65 22.87 9.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -107.48 146.62 31.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.399 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.38 139.83 58.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.562 ' HD3' ' CE1' ' A' ' 4' ' ' HIS . 4.5 mtm180 49.87 28.92 3.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.606 1.191 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 56' ' ' THR . 20.9 p -68.6 -30.6 69.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.454 1.096 . . . . 0.0 108.271 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.526 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 15.8 p30 -94.99 84.69 4.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 1.052 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 9.8 p-10 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.513 ' CD2' ' SG ' ' A' ' 23' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 3.1 tt0 -101.46 118.37 36.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.838 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 72.1 m -111.39 156.08 22.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.291 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.779 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 2.9 m-70 -66.2 165.14 14.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.602 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -127.03 -41.9 1.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.241 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.511 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -48.4 150.97 1.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.268 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.485 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 14.2 tm0? -128.36 152.99 47.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m 60.43 -96.93 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -133.86 40.75 3.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.554 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -73.61 178.74 1.42 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.404 1.065 . . . . 0.0 110.255 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.554 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.0 Cg_endo -75.07 174.03 13.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.458 1.767 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 106.65 2.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.2 p -138.73 138.78 37.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.438 ' OG1' ' NH2' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -132.62 168.05 18.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.376 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -164.32 158.99 19.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 m -93.54 128.3 39.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.377 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -88.37 160.79 17.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 108.322 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 19' ' ' GLY . 61.8 p -103.09 147.75 26.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 18' ' ' SER . . . 34.85 49.96 0.77 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.462 ' OE2' ' N ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -160.63 143.16 12.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 0.78 . . . . 0.0 110.275 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.465 ' C ' ' ND2' ' A' ' 22' ' ' ASN . 2.0 t -140.56 44.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.43 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.465 ' ND2' ' C ' ' A' ' 21' ' ' THR . 4.0 m-80 -150.52 151.42 32.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.513 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 4.0 m -142.48 143.59 32.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 108.382 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.555 ' CZ ' ' HG3' ' A' ' 43' ' ' PRO . 19.0 p90 -133.56 160.02 38.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.06 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' NZ ' ' O ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -125.6 146.78 49.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -141.44 138.22 32.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.375 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 22.6 p90 -150.68 159.65 44.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 107.956 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.783 ' CH2' HG21 ' A' ' 35' ' ' ILE . 9.6 p90 -160.55 129.56 4.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 107.971 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -81.17 140.69 34.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.985 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.436 ' OD2' ' C ' ' A' ' 33' ' ' GLY . 4.1 p30 -105.93 -164.9 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -47.69 -61.03 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 109.593 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -140.15 55.14 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.235 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.436 ' C ' ' OD2' ' A' ' 30' ' ' ASP . . . -169.03 -173.26 36.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.125 . . . . 0.0 111.059 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.7 m -149.85 123.36 9.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 0.798 . . . . 0.0 110.281 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.783 HG21 ' CH2' ' A' ' 28' ' ' TRP . 4.6 mp -100.25 139.4 21.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.553 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.5 mp -131.94 150.84 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.445 ' HG2' ' CG ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -160.56 132.22 5.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.553 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 1.9 mpt_? -126.3 155.02 42.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.28 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.26 -175.62 39.83 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.441 1.088 . . . . 0.0 111.061 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.838 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 82.2 m -92.0 172.36 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.462 ' N ' ' OE2' ' A' ' 20' ' ' GLU . . . 83.03 -162.8 41.01 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 49.7 t -153.26 96.12 2.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.555 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -75.03 175.7 10.9 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.447 1.762 . . . . 0.0 110.978 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -84.56 135.13 34.34 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.702 ' HA ' HD23 ' A' ' 51' ' ' LEU . 34.9 m -79.26 112.57 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -97.53 157.11 35.33 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 143.45 28.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.552 1.817 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.32 -28.73 7.81 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.57 1.169 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 97.0 t -109.32 140.96 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.322 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -88.37 130.33 35.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.702 HD23 ' HA ' ' A' ' 45' ' ' VAL . 42.3 tp -146.45 135.39 22.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -139.79 141.15 36.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.1 m -115.29 147.1 40.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 108.283 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -153.01 160.55 43.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 108.299 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -117.73 20.48 13.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.49 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -101.11 145.46 28.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.417 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -62.63 136.81 58.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.653 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 2.3 ttt180 48.98 30.45 2.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.49 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 20.0 p -70.26 -26.48 63.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 108.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.502 ' HB2' ' CG ' ' A' ' 38' ' ' ARG . 27.2 p30 -94.14 84.4 4.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.837 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 15.8 t30 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.682 HD13 ' HB ' ' A' ' 21' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.691 ' HG3' HG21 ' A' ' 14' ' ' THR . 11.0 pt-20 -107.55 123.43 48.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.123 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 83.2 m -105.65 165.02 11.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 108.221 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.649 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 2.0 m-70 -68.29 167.08 15.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.569 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -131.08 -42.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.323 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.538 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -48.32 150.27 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.429 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -127.15 150.42 49.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 36' ' ' ILE . 1.6 m 64.17 -96.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.018 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.27 37.67 2.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.031 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.547 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -71.15 178.67 1.12 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.547 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -75.02 174.32 12.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 107.44 2.48 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.409 1.742 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 p -140.49 141.1 35.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.691 HG21 ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -134.39 173.28 11.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.383 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.29 145.64 4.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.2 m -71.34 131.18 43.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.452 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.9 m -92.95 157.16 16.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 108.269 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.422 ' C ' ' N ' ' A' ' 20' ' ' GLU . 68.5 p -69.96 -149.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -46.16 -19.97 0.46 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' A' ' 22' ' ' ASN . 2.1 tm-20 -76.41 118.73 19.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 0.736 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.682 ' HB ' HD13 ' A' ' 1' ' ' LEU . 53.6 p -115.3 47.19 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 110.425 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.461 ' N ' ' OE1' ' A' ' 20' ' ' GLU . 1.9 m-80 -144.61 152.52 40.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 1.4 m -140.1 143.67 36.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 108.287 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.532 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 4.1 p90 -137.13 158.01 45.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -121.56 156.49 32.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.933 ' HB3' HD12 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -148.79 139.35 22.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.419 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.5 p90 -150.42 158.36 44.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 107.994 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.628 ' CH2' HG21 ' A' ' 35' ' ' ILE . 13.3 p90 -161.28 132.33 5.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 107.988 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -81.3 138.31 35.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.537 ' OD2' ' CA ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -108.63 -168.58 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.95 -64.67 0.66 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.106 . . . . 0.0 109.636 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.527 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 4.7 ttm180 -136.98 59.57 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.537 ' CA ' ' OD2' ' A' ' 30' ' ' ASP . . . 179.73 -177.86 48.34 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.7 m -145.66 123.24 11.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 110.458 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.628 HG21 ' CH2' ' A' ' 28' ' ' TRP . 49.6 mm -97.11 138.92 20.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.523 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.2 mp -131.25 150.64 34.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.098 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' HA ' ' OE1' ' A' ' 37' ' ' GLU . 3.1 tp10 -157.07 148.79 22.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.523 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 2.0 mpt_? -141.1 153.4 45.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.31 -172.91 36.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.571 1.169 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 1.123 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.8 OUTLIER -98.71 168.15 10.33 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.31 -160.48 28.17 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.467 1.104 . . . . 0.0 110.989 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.8 t -161.28 87.02 1.66 Allowed Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.532 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -74.93 -179.57 5.09 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.8 . . . . 0.0 111.046 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.25 136.41 34.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.387 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.729 HG12 HD23 ' A' ' 51' ' ' LEU . 25.6 m -78.62 114.95 19.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -92.39 156.52 41.49 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 138.8 23.44 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.584 1.834 . . . . 0.0 111.046 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.59 -29.42 9.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.1 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.7 t -107.32 137.51 38.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -90.92 135.07 33.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.933 HD12 ' HB3' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -150.45 139.54 21.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -135.19 136.19 41.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.3 m -107.93 143.39 36.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 108.228 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -153.02 161.98 41.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 108.331 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -120.62 22.79 11.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.481 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -103.31 148.12 26.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 110.397 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.03 137.28 58.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.649 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 6.5 mtm180 47.29 30.56 1.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.481 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 18.2 p -69.52 -26.43 64.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 108.331 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.489 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 26.3 p-10 -95.49 82.64 3.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.783 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 11.1 p30 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.469 HD23 ' SG ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 4.8 tt0 -95.45 122.75 38.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.469 ' SG ' HD23 ' A' ' 1' ' ' LEU . 93.5 m -129.51 167.72 17.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 108.261 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.651 ' CE1' ' CD ' ' A' ' 58' ' ' ARG . 89.5 m-70 -71.71 157.87 37.16 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.548 1.155 . . . . 0.0 109.647 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.526 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 0.6 OUTLIER -123.63 -37.62 2.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.51 ' CB ' ' HB3' ' A' ' 10' ' ' GLN . 1.1 pt20 -37.52 146.45 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 36' ' ' ILE . 2.0 tt0 -124.97 151.56 45.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.453 ' CA ' ' HB ' ' A' ' 36' ' ' ILE . 1.5 m 64.88 -95.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.4 m -135.7 33.18 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.985 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.51 ' HB3' ' CB ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -64.83 177.52 0.59 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 110.296 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.509 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -74.99 171.97 17.28 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.448 1.762 . . . . 0.0 110.943 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 86.53 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.397 1.735 . . . . 0.0 111.035 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.526 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 1.6 p -115.48 141.5 47.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.414 HG21 ' HG3' ' A' ' 58' ' ' ARG . 1.1 m -129.68 169.62 14.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -166.86 161.89 15.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.4 m -84.35 143.93 29.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.426 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 19.3 m -97.53 -179.97 4.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 108.307 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.412 ' C ' ' N ' ' A' ' 20' ' ' GLU . 3.4 m -96.69 -149.62 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 110.011 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -49.24 -18.88 1.48 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 22' ' ' ASN . 2.0 tm-20 -77.48 123.7 26.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.751 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 t -111.29 38.81 2.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.356 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.468 ' N ' ' OE1' ' A' ' 20' ' ' GLU . 3.3 m-80 -143.56 154.6 43.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.427 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 1.8 m -149.53 146.33 27.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 108.314 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.552 ' CD2' HD21 ' A' ' 51' ' ' LEU . 24.1 p90 -135.68 160.36 38.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.539 ' NZ ' HD22 ' A' ' 52' ' ' ASN . 0.6 OUTLIER -126.68 137.52 53.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -131.39 142.49 50.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.551 ' HB2' HD13 ' A' ' 36' ' ' ILE . 16.4 p90 -150.14 159.74 44.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 107.981 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.737 ' CH2' HG21 ' A' ' 35' ' ' ILE . 11.7 p90 -160.43 133.95 6.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.2 p -86.09 142.28 28.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.008 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.53 -163.97 0.94 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -52.22 -64.36 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.573 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -133.85 51.9 2.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.14 -171.47 34.89 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.499 HG22 HD11 ' A' ' 36' ' ' ILE . 7.5 m -155.46 121.76 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 110.43 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.737 HG21 ' CH2' ' A' ' 28' ' ' TRP . 46.9 mm -96.62 141.47 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.586 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 4.0 mm -128.82 153.24 38.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -159.51 143.5 14.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.285 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.664 ' NE ' ' O ' ' A' ' 61' ' ' ASN . 1.6 mpt_? -148.75 156.82 42.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.584 1.178 . . . . 0.0 110.296 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.59 -177.67 48.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -80.75 -178.92 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.39 -171.71 55.15 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -160.59 86.07 1.87 Allowed Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -178.13 3.96 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.792 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.14 135.16 35.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.6 m -79.03 113.51 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.34 154.28 48.85 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 137.33 21.49 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.92 -28.82 12.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.577 1.173 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 38.8 t -114.4 146.4 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.433 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 9.0 m-20 -92.81 135.97 33.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.552 HD21 ' CD2' ' A' ' 24' ' ' TYR . 1.3 tt -148.29 146.62 28.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.539 HD22 ' NZ ' ' A' ' 25' ' ' LYS . 11.9 t-20 -141.74 133.24 26.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.241 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.54 142.97 43.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 0.0 108.346 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -158.79 161.58 36.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 108.324 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -117.8 23.22 11.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.447 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -101.8 147.47 26.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.428 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.25 139.02 58.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.651 ' CD ' ' CE1' ' A' ' 4' ' ' HIS . 10.8 mtm180 48.59 29.31 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.447 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 13.8 p -78.55 -25.42 45.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 108.263 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.428 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 46.4 p-10 -96.51 80.53 3.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.399 1.062 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 1.018 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 33.1 t-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.481 ' CD2' ' SG ' ' A' ' 23' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.733 ' HG3' HG21 ' A' ' 14' ' ' THR . 5.0 pt-20 -104.81 121.63 44.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.523 ' O ' HG22 ' A' ' 14' ' ' THR . 84.6 m -107.05 156.96 18.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 108.247 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.744 ' CD2' ' HB3' ' A' ' 61' ' ' ASN . 1.2 m-70 -69.17 162.28 27.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.559 1.162 . . . . 0.0 109.571 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -129.64 -43.93 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 11' ' ' PRO . 0.5 OUTLIER -49.96 152.71 1.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.416 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 1.5 pp0? -140.57 159.59 41.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.069 . . . . 0.0 110.309 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.517 ' O ' HD13 ' A' ' 36' ' ' ILE . 2.9 m 64.31 -93.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.599 1.187 . . . . 0.0 109.969 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.4 p -141.08 38.14 1.76 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.445 1.091 . . . . 0.0 109.99 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.442 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -75.98 174.81 4.98 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -75.01 173.56 14.3 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.433 1.754 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 105.73 2.14 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.0 p -138.3 138.16 38.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.591 1.182 . . . . 0.0 110.416 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.733 HG21 ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -135.16 166.97 21.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 110.444 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 8.0 tttt -155.71 158.74 38.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.235 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 m -85.63 131.85 34.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.445 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.0 m -96.77 151.52 19.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.339 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.3 p -117.98 138.19 52.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.981 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.28 -48.74 3.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.49 ' OE1' ' O ' ' A' ' 22' ' ' ASN . 1.0 OUTLIER -85.26 154.2 22.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.528 0.781 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.495 ' C ' ' ND2' ' A' ' 22' ' ' ASN . 10.5 t -140.04 39.67 1.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.429 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.495 ' ND2' ' C ' ' A' ' 21' ' ' THR . 2.5 m-80 -149.69 151.09 33.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.497 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 3.7 m -135.36 143.06 45.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 108.298 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.554 ' CE2' ' HD3' ' A' ' 43' ' ' PRO . 14.0 p90 -138.99 157.53 45.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.402 1.064 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -122.93 149.79 43.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -143.33 139.69 30.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 15.6 p90 -150.12 158.1 43.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.463 ' CZ2' HG21 ' A' ' 35' ' ' ILE . 11.3 p90 -161.52 132.65 5.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.032 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -87.81 134.71 33.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.943 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 33' ' ' GLY . 0.6 OUTLIER -100.17 -166.62 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.594 1.184 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -45.86 -66.78 0.35 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.554 1.159 . . . . 0.0 109.513 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.545 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -133.04 56.04 1.87 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.547 1.154 . . . . 0.0 110.274 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.534 ' N ' ' OD1' ' A' ' 30' ' ' ASP . . . -172.39 -172.88 38.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 m -154.82 119.32 4.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 0.734 . . . . 0.0 110.427 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.463 HG21 ' CZ2' ' A' ' 28' ' ' TRP . 30.6 mm -99.85 136.63 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.656 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.7 mp -130.65 150.67 34.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.45 1.094 . . . . 0.0 109.385 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.48 143.09 17.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.656 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 2.1 mpt_? -138.15 158.25 44.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.157 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.65 -175.48 47.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.434 1.084 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 18.7 m -88.61 167.63 13.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.73 -162.8 23.35 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.2 t -161.16 90.38 1.56 Allowed Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.554 ' HD3' ' CE2' ' A' ' 24' ' ' TYR . 18.5 Cg_endo -74.93 176.55 9.74 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.603 1.843 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.93 133.31 34.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.528 ' CA ' HD23 ' A' ' 51' ' ' LEU . 6.5 p -79.3 108.55 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.7 158.87 50.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 126.96 10.34 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.49 1.784 . . . . 0.0 111.061 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.64 -33.01 6.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 64.2 t -102.72 136.86 33.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 0.773 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -89.02 132.81 34.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.528 HD23 ' CA ' ' A' ' 45' ' ' VAL . 4.9 tp -150.32 138.69 20.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -139.62 137.12 35.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 86.4 m -110.88 144.4 39.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 108.32 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.81 161.69 42.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 108.286 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -114.08 21.07 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.361 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.496 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -100.01 146.34 26.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.172 . . . . 0.0 110.376 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.58 135.48 57.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.644 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 3.2 ttm180 48.68 30.87 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.496 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 15.1 p -72.05 -22.02 61.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 108.323 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.497 ' ND2' ' HB3' ' A' ' 23' ' ' CYS . 8.8 p30 -91.69 85.98 5.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.744 ' HB3' ' CD2' ' A' ' 4' ' ' HIS . 19.3 p-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.508 HD13 ' HB ' ' A' ' 21' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.6 ' HG2' HG22 ' A' ' 14' ' ' THR . 7.6 tt0 -105.9 112.7 25.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.173 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 86.3 m -106.78 152.52 23.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 108.269 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.584 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 12.6 m-70 -68.47 157.61 35.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.625 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.521 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 1.8 p30 -123.92 -37.77 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.543 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -33.75 144.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.314 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.494 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 1.2 tm0? -122.95 144.76 49.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.354 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 36' ' ' ILE . 1.6 m 64.52 -95.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 110.044 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.5 p -134.6 33.18 3.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.985 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.524 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -62.98 179.13 0.32 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.526 ' O ' ' HB3' ' A' ' 6' ' ' GLN . 18.1 Cg_endo -74.97 174.35 12.93 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.483 1.781 . . . . 0.0 111.058 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.543 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 18.2 Cg_endo -75.05 85.04 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.521 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 1.9 p -114.43 141.2 47.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.447 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.6 HG22 ' HG2' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -131.55 168.26 17.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.25 145.07 9.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.7 m -77.4 128.45 34.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.449 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.5 m -90.63 167.9 12.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 0.0 108.202 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 p -129.38 137.83 51.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.027 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.65 -50.09 2.11 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' OE1' ' N ' ' A' ' 21' ' ' THR . 6.8 tp10 -87.12 139.34 30.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 0.79 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.508 ' HB ' HD13 ' A' ' 1' ' ' LEU . 65.5 p -127.43 42.96 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.378 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.462 ' ND2' ' C ' ' A' ' 21' ' ' THR . 2.2 m-80 -146.21 160.36 42.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.216 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.507 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 1.1 m -140.15 143.09 35.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 108.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.576 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 30.4 p90 -138.06 159.38 42.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.529 ' CD ' ' HA ' ' A' ' 60' ' ' ASN . 2.5 mttp -114.63 146.44 40.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -143.26 128.14 18.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.532 ' CE2' ' HB3' ' A' ' 50' ' ' ASN . 17.6 p90 -150.76 162.01 41.55 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.438 ' HB3' HG13 ' A' ' 49' ' ' VAL . 19.1 p90 -157.37 131.25 8.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 107.992 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.5 p -81.9 134.24 35.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.983 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.422 ' OD2' ' HA3' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -101.3 -169.6 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 109.194 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -46.31 -62.86 1.17 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.388 1.055 . . . . 0.0 109.568 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.544 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -135.62 54.3 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.422 ' HA3' ' OD2' ' A' ' 30' ' ' ASP . . . -171.22 -179.13 42.16 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.597 1.185 . . . . 0.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.8 m -150.24 121.71 7.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 0.725 . . . . 0.0 110.42 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.8 mt -99.87 132.62 45.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.347 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.585 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 1.8 mp -125.84 152.31 32.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -160.85 154.56 22.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.585 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 1.9 mpt_? -140.61 154.95 46.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.39 -175.65 38.74 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 1.173 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.3 m -97.49 156.49 16.47 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.15 -159.78 19.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.6 t -158.91 96.75 1.72 Allowed Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.581 ' HG2' HD11 ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.98 179.58 5.95 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.46 1.769 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.72 131.85 34.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.245 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.472 ' O ' HG23 ' A' ' 45' ' ' VAL . 30.5 m -79.5 112.56 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.43 152.58 37.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 131.35 14.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.566 1.824 . . . . 0.0 110.978 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.32 -35.01 5.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.438 HG13 ' HB3' ' A' ' 28' ' ' TRP . 96.4 t -104.67 144.02 15.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.532 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 74.9 m-20 -89.81 136.4 33.06 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.581 HD11 ' HG2' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -155.52 141.71 18.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 24' ' ' TYR . 18.5 t-20 -137.67 141.63 41.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 54.2 m -116.67 144.95 43.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 108.318 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -153.44 161.14 42.57 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 0.0 108.279 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -118.57 19.76 13.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.477 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -103.87 146.06 29.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.407 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -63.62 141.52 58.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.584 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 33.8 mtp180 48.45 24.27 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.23 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.477 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 19.7 p -69.47 -24.97 63.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.608 1.193 . . . . 0.0 108.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.535 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 18.3 p-10 -94.05 81.73 4.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 1.131 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 3.6 t-20 . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.51 ' CD2' ' SG ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -98.4 112.13 24.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.647 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 75.3 m -110.84 162.74 14.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 108.277 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.55 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 0.8 OUTLIER -68.63 164.44 21.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.628 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -127.34 -45.54 1.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.572 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.7 OUTLIER -38.76 145.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 110.191 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.416 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -120.19 153.12 36.72 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m 58.14 -96.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 110.012 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 p -133.5 43.09 2.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.005 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.547 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 1.0 OUTLIER -74.78 178.37 1.78 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.572 ' O ' ' HB3' ' A' ' 6' ' ' GLN . 18.5 Cg_endo -74.91 174.5 12.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.544 1.812 . . . . 0.0 111.039 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 105.01 2.0 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.559 1.82 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 p -140.02 141.77 36.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -130.56 173.97 10.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.423 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.62 147.2 6.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 m -84.07 127.96 34.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.403 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.7 m -91.52 158.25 16.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 108.269 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.8 p -108.81 153.41 23.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.939 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 39.75 29.94 0.19 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -152.0 127.83 10.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.2 t -127.24 47.77 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.384 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -143.11 160.86 39.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.51 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 79.5 m -134.7 139.47 45.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 108.314 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.56 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 2.2 p90 -139.12 160.02 40.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.528 ' CE ' ' O ' ' A' ' 59' ' ' CYS . 1.0 OUTLIER -134.08 141.7 47.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.488 ' HB3' HD23 ' A' ' 51' ' ' LEU . 3.6 ptmt -142.62 128.71 19.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.1 p90 -146.83 162.4 38.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 108.037 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 7.6 p90 -159.37 133.35 7.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -84.37 144.21 28.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.962 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 33' ' ' GLY . 2.1 p30 -109.85 -167.77 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -44.93 -67.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.644 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.524 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -133.23 56.5 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.497 ' N ' ' OD1' ' A' ' 30' ' ' ASP . . . -170.04 -174.06 37.93 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.2 m -156.4 118.94 4.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 0.772 . . . . 0.0 110.399 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.3 mm -101.02 132.3 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.248 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.7 mp -119.34 150.79 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.262 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.412 ' HA ' ' OE1' ' A' ' 37' ' ' GLU . 5.7 tp10 -149.42 153.77 37.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 1.028 ' NH2' ' HA ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -144.39 164.0 32.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 179.39 -171.36 43.17 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.461 1.1 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.647 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 43.1 m -107.97 155.18 20.62 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.58 -160.73 18.92 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.456 1.097 . . . . 0.0 111.037 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.8 t -150.24 92.12 4.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 177.87 8.03 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.496 1.787 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -84.07 132.96 34.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.145 . . . . 0.0 109.246 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.625 ' HB ' HD12 ' A' ' 51' ' ' LEU . 2.7 p -79.39 113.37 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.95 153.39 39.9 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 136.78 20.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.451 1.763 . . . . 0.0 111.047 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.67 -21.96 43.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.556 1.16 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 86.6 t -116.66 142.29 31.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.437 0.728 . . . . 0.0 109.299 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.48 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -86.39 132.35 33.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.639 HD22 ' N ' ' A' ' 52' ' ' ASN . 2.1 tm? -147.58 132.34 17.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.222 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.639 ' N ' HD22 ' A' ' 51' ' ' LEU . 37.6 t-20 -133.27 146.88 51.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.243 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 64.1 m -117.83 144.66 45.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.105 . . . . 0.0 108.373 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.8 p -158.12 165.01 36.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.565 1.166 . . . . 0.0 108.358 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -124.46 25.51 7.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 0.9 OUTLIER -104.09 145.3 30.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.486 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.3 136.15 51.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.55 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER 58.98 19.38 7.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.254 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.528 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 1.4 p -69.74 -10.41 58.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 108.226 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.512 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -90.33 82.15 5.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 1.028 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 35.0 p-10 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.476 ' HG3' ' CG2' ' A' ' 14' ' ' THR . 1.8 pt-20 -100.43 130.18 46.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.416 ' SG ' ' OD1' ' A' ' 60' ' ' ASN . 1.7 m -128.57 167.96 16.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 108.357 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.637 ' CD2' ' CG ' ' A' ' 58' ' ' ARG . 27.7 m-70 -71.63 154.3 41.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.074 . . . . 0.0 109.524 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.516 ' OD1' ' OG1' ' A' ' 13' ' ' THR . 1.9 p30 -119.64 -35.17 3.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.51 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 0.9 OUTLIER -45.71 150.49 0.51 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.423 1.077 . . . . 0.0 110.235 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -130.4 157.21 43.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.26 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.515 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.7 m 60.62 -97.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.2 m -134.64 40.08 2.98 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.495 ' HB3' ' CB ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -73.18 176.89 2.25 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.488 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -75.1 171.11 18.95 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.506 1.793 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.51 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 18.4 Cg_endo -74.99 99.25 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.449 1.763 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.516 ' OG1' ' OD1' ' A' ' 5' ' ' ASN . 1.6 p -130.28 140.72 50.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.4 1.063 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.476 ' CG2' ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -136.96 164.19 28.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 110.42 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 4.7 pttp -163.03 153.37 16.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 m -86.8 124.37 32.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 55.8 m -86.73 150.03 24.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 108.283 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.94 146.35 45.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 0.0 109.963 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.06 -50.2 4.13 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.456 ' OE2' ' N ' ' A' ' 21' ' ' THR . 6.9 tp10 -91.44 133.29 35.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 0.725 . . . . 0.0 110.298 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.456 ' N ' ' OE2' ' A' ' 20' ' ' GLU . 72.6 p -116.33 44.01 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.375 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.403 ' ND2' ' C ' ' A' ' 21' ' ' THR . 4.9 m-80 -148.69 169.43 20.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 87.5 m -148.03 146.42 28.88 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.495 1.122 . . . . 0.0 108.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.591 ' CG ' ' CD ' ' A' ' 43' ' ' PRO . 18.5 p90 -140.59 155.28 46.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.78 143.09 49.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.506 ' HB3' HD23 ' A' ' 51' ' ' LEU . 6.0 ptmt -138.93 141.87 38.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 16.2 p90 -150.55 159.79 44.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.168 . . . . 0.0 107.993 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.928 ' CZ2' HG21 ' A' ' 35' ' ' ILE . 11.3 p90 -159.33 138.26 11.02 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 p -91.81 137.57 32.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.969 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.44 ' OD2' ' C ' ' A' ' 33' ' ' GLY . 4.0 p30 -97.62 -167.22 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -47.71 -62.79 1.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.578 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -135.23 54.36 1.93 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.477 1.111 . . . . 0.0 110.363 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.44 ' C ' ' OD2' ' A' ' 30' ' ' ASP . . . -167.85 -179.66 40.62 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.456 1.098 . . . . 0.0 110.993 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.0 m -140.89 119.41 12.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 0.72 . . . . 0.0 110.423 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.928 HG21 ' CZ2' ' A' ' 28' ' ' TRP . 4.6 mp -96.67 141.5 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 8' ' ' SER . 77.4 mt -126.17 150.8 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 38' ' ' ARG . 3.2 tp10 -154.65 144.2 21.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.517 ' HG2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -141.17 165.06 28.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.42 -175.47 47.44 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 4.6 m -105.44 155.28 19.29 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.41 -159.53 19.24 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 49.7 t -147.74 89.3 5.39 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.591 ' CD ' ' CG ' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -75.02 173.31 14.74 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.436 1.756 . . . . 0.0 110.999 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -84.61 137.62 33.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.162 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.405 HG12 ' H ' ' A' ' 45' ' ' VAL . 3.0 p -79.3 112.61 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.205 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -86.87 156.76 55.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 124.84 8.92 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.62 -37.95 3.57 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.453 1.096 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 69.4 t -98.48 139.79 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.36 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.8 OUTLIER -84.15 132.41 34.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.531 ' C ' HD13 ' A' ' 51' ' ' LEU . 3.3 tm? -141.23 132.9 27.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.438 ' N ' HD13 ' A' ' 51' ' ' LEU . 5.7 t-20 -134.9 140.41 45.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 61.2 m -110.19 145.48 37.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 108.354 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' CYS . 1.5 p -158.63 160.37 36.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 108.352 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -124.84 24.25 7.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.501 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 1.2 p -101.26 147.63 26.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.601 1.188 . . . . 0.0 110.381 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.81 130.42 43.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.637 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 9.8 ttp-105 62.41 29.59 17.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.363 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.501 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.5 p -73.44 -6.58 47.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 108.268 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.517 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -93.52 82.97 4.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.689 ' OXT' ' CG ' ' A' ' 61' ' ' ASN . 24.7 p-10 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.453 ' CD2' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.516 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 5.4 tt0 -97.97 119.2 36.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.453 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 71.9 m -121.18 161.03 22.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 108.258 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.622 ' CE1' ' HD3' ' A' ' 58' ' ' ARG . 72.6 m-70 -70.72 153.97 42.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.627 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.513 ' OD1' ' OG1' ' A' ' 13' ' ' THR . 3.2 p30 -122.62 -35.4 3.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.409 1.068 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.517 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 1.8 pt20 -47.52 152.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 110.238 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.417 ' CG ' ' OE1' ' A' ' 37' ' ' GLU . 25.7 mt-30 -137.01 157.67 46.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.469 ' CA ' ' HB ' ' A' ' 36' ' ' ILE . 1.6 m 65.07 -96.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.946 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.8 p -137.06 33.95 2.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.034 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.472 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.2 mt-30 -69.42 175.55 2.12 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -75.03 171.38 18.44 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.422 1.749 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.517 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 18.0 Cg_endo -75.05 91.18 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.801 . . . . 0.0 110.949 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.513 ' OG1' ' OD1' ' A' ' 5' ' ' ASN . 1.6 p -120.35 140.75 50.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.405 HG21 ' HG3' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -128.69 166.91 18.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.443 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -156.31 155.37 32.15 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.7 m -93.86 126.48 39.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.1 m -98.25 151.26 20.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 108.281 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -126.61 144.44 50.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.454 1.096 . . . . 0.0 110.006 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.63 -41.01 3.07 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.448 ' OE2' ' ND2' ' A' ' 22' ' ' ASN . 6.3 tp10 -110.84 126.64 54.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 0.736 . . . . 0.0 110.269 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.464 ' C ' ' ND2' ' A' ' 22' ' ' ASN . 68.6 p -106.35 41.17 1.47 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.398 1.061 . . . . 0.0 110.43 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.464 ' ND2' ' C ' ' A' ' 21' ' ' THR . 3.4 m-80 -149.7 161.55 41.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.07 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 41.9 m -150.59 156.21 40.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.392 1.057 . . . . 0.0 108.312 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.582 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 26.5 p90 -140.27 161.14 38.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 0.0 111.041 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -127.66 153.47 46.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 2.4 ptpt -150.38 142.14 23.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.64 ' HB2' HD13 ' A' ' 36' ' ' ILE . 20.3 p90 -150.72 159.72 44.33 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.675 ' CZ2' HG21 ' A' ' 35' ' ' ILE . 15.5 p90 -160.15 132.8 6.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.057 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.8 p -84.66 152.85 23.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 110.006 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 32' ' ' ARG . 2.3 p30 -115.35 -161.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.06 -66.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.569 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.536 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 5.8 ttt180 -135.04 54.3 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.213 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.404 ' N ' ' OD1' ' A' ' 30' ' ' ASP . . . -166.25 -175.65 36.77 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.2 m -145.73 122.19 11.02 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.482 0.754 . . . . 0.0 110.389 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.675 HG21 ' CZ2' ' A' ' 28' ' ' TRP . 46.7 mm -99.19 140.73 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.64 HD13 ' HB2' ' A' ' 27' ' ' TRP . 8.7 mm -127.76 150.8 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 109.354 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.417 ' OE1' ' CG ' ' A' ' 7' ' ' GLN . 49.9 tp10 -157.29 140.72 15.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.349 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.631 ' CZ ' ' HA ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -141.09 160.54 39.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.87 -176.59 43.31 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 2.2 m -98.9 154.78 17.79 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.47 -165.82 19.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.556 1.16 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 50.3 t -151.44 87.69 4.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.582 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.2 Cg_endo -75.02 -178.95 4.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.575 1.829 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.73 125.62 31.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.841 HG23 ' HB3' ' A' ' 51' ' ' LEU . 14.4 p -78.37 113.46 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.375 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.26 153.59 46.57 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 137.59 21.79 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.433 1.754 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.04 -30.29 9.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.48 HG13 ' HB3' ' A' ' 28' ' ' TRP . 51.1 t -111.26 146.51 16.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.536 0.786 . . . . 0.0 109.34 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.463 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 76.8 m-20 -87.49 132.02 34.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.362 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.841 ' HB3' HG23 ' A' ' 45' ' ' VAL . 6.4 tt -153.03 138.37 17.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 0.0 109.392 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.691 ' N ' HD23 ' A' ' 51' ' ' LEU . 35.2 t-20 -137.49 139.32 40.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 21.8 m -109.4 143.77 38.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 108.279 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 p -156.74 163.91 38.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 108.246 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.1 mtt180 -121.81 17.63 11.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.438 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -99.71 148.97 23.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 2.3 m-20 -63.4 141.57 58.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.622 ' HD3' ' CE1' ' A' ' 4' ' ' HIS . 0.7 OUTLIER 48.02 24.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.362 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.438 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 15.5 p -72.11 -27.22 62.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 108.315 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.448 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 35.9 p30 -94.99 84.39 4.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 1.084 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 10.7 p30 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.834 HD13 ' CA ' ' A' ' 21' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.515 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 12.8 pt-20 -101.58 118.7 37.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.459 ' C ' ' CG2' ' A' ' 14' ' ' THR . 64.9 m -103.97 153.07 21.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 108.328 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.572 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 7.9 m-70 -68.24 153.9 42.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.686 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.552 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 0.6 OUTLIER -121.88 -40.7 2.5 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.466 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -38.76 146.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.298 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.498 ' CG ' ' HG2' ' A' ' 37' ' ' GLU . 10.6 tm0? -121.95 148.77 44.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.357 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.557 ' N ' ' O ' ' A' ' 36' ' ' ILE . 1.8 m 63.55 -97.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.016 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.98 33.31 3.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.557 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 1.0 OUTLIER -63.01 178.94 0.33 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.406 1.066 . . . . 0.0 110.327 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.557 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -74.97 172.33 16.58 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.553 1.818 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 104.61 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.554 1.818 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.552 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 1.4 p -138.74 142.87 38.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.418 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.459 ' CG2' ' C ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -138.94 169.93 16.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.422 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -161.27 142.22 11.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m -67.3 130.78 44.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.602 1.189 . . . . 0.0 110.388 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.1 m -95.33 173.22 7.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 108.302 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' GLU . 73.4 p -60.25 -157.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.051 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.3 57.41 0.44 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.471 1.107 . . . . 0.0 111.07 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.439 ' HG2' ' N ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -139.48 139.6 37.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.293 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.834 ' CA ' HD13 ' A' ' 1' ' ' LEU . 22.4 p -121.3 52.79 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.472 ' ND2' ' C ' ' A' ' 21' ' ' THR . 4.4 m-80 -152.74 156.9 40.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.484 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 8.9 m -144.92 155.39 43.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 108.294 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.613 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 4.7 p90 -133.98 160.47 37.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.511 ' O ' HD12 ' A' ' 51' ' ' LEU . 5.6 mttp -123.4 155.15 37.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 12.4 ptpt -148.56 131.86 16.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.548 ' CE2' ' HB3' ' A' ' 50' ' ' ASN . 34.3 p90 -150.57 161.11 43.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 107.976 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.674 ' CH2' HG21 ' A' ' 35' ' ' ILE . 15.8 p90 -159.78 141.09 12.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 108.0 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 76.1 p -91.15 146.89 23.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.411 ' OD2' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -115.86 -170.79 1.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 109.295 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.42 -61.14 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.639 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.75 55.61 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.411 ' HA3' ' OD2' ' A' ' 30' ' ' ASP . . . -174.74 -176.84 43.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 m -153.89 122.29 6.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.802 . . . . 0.0 110.361 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.674 HG21 ' CH2' ' A' ' 28' ' ' TRP . 3.8 mp -98.49 135.21 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.557 ' O ' ' N ' ' A' ' 8' ' ' SER . 2.0 mt -126.16 151.14 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.498 ' HG2' ' CG ' ' A' ' 7' ' ' GLN . 9.2 tm-20 -162.53 147.77 12.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.812 ' NH2' ' O ' ' A' ' 61' ' ' ASN . 2.0 mpt_? -120.11 170.89 8.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.474 ' HA3' ' CZ ' ' A' ' 24' ' ' TYR . . . -169.68 -179.92 41.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -108.71 149.92 28.31 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.71 -162.28 21.3 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.1 t -147.35 89.83 5.41 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.613 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -74.96 -179.97 5.5 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.418 1.746 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -83.82 140.18 32.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.471 ' O ' HG23 ' A' ' 45' ' ' VAL . 26.2 m -78.65 113.96 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.35 151.75 38.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.42 34.01 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.469 1.773 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.8 -7.5 62.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 110.947 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.1 t -129.72 140.02 50.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.548 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 1.5 m120 -88.54 130.32 35.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.511 HD12 ' O ' ' A' ' 25' ' ' LYS . 18.4 tp -137.96 138.8 39.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.457 ' CG ' ' NZ ' ' A' ' 25' ' ' LYS . 14.0 t-20 -129.44 146.75 51.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.2 m -128.99 140.75 51.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.256 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -153.45 162.58 41.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 108.262 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -121.11 19.86 11.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.431 ' O ' ' SG ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -107.56 145.28 33.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.382 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -64.0 143.06 58.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.572 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 0.1 OUTLIER 48.49 25.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 56' ' ' THR . 29.7 p -68.24 -28.76 67.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 108.309 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.556 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 15.3 p30 -89.53 89.23 7.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.364 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.812 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 13.7 t30 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.225 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.785 HD13 ' CA ' ' A' ' 21' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.662 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 13.6 pt-20 -96.27 120.7 37.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.61 1.194 . . . . 0.0 110.301 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.184 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 72.2 m -106.91 162.23 14.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 108.294 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.597 ' CD2' ' HG3' ' A' ' 58' ' ' ARG . 1.0 OUTLIER -67.5 160.57 27.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.601 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -130.31 -46.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.527 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.1 OUTLIER -39.33 148.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.453 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 8.7 tm0? -127.03 151.15 48.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.353 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m 62.46 -96.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 p -135.78 39.12 2.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.953 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.538 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.3 OUTLIER -71.95 177.61 1.64 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.538 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -74.89 174.6 12.47 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.504 1.792 . . . . 0.0 110.963 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 106.58 2.3 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.566 1.824 . . . . 0.0 110.99 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.2 p -141.42 139.93 33.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.643 HG21 ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -129.5 174.75 9.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.439 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.12 140.44 7.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 22.0 m -75.71 133.38 40.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.395 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.8 m -97.88 156.0 16.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 108.247 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 19' ' ' GLY . 3.7 t -103.59 150.48 23.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' SER . . . 34.84 42.9 0.37 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' A' ' 41' ' ' GLY . 1.0 OUTLIER -161.4 140.8 10.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 110.313 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.785 ' CA ' HD13 ' A' ' 1' ' ' LEU . 23.2 p -137.98 47.81 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.502 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.463 ' ND2' ' C ' ' A' ' 21' ' ' THR . 3.7 m-80 -149.83 152.95 35.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.5 m -145.93 150.74 36.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 108.311 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.599 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 15.9 p90 -139.89 156.28 46.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.447 1.092 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HD2' ' H ' ' A' ' 61' ' ' ASN . 1.7 pttm -128.01 143.69 51.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 10.7 ptmt -139.6 148.05 41.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.403 1.064 . . . . 0.0 109.369 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.46 ' HB2' HD13 ' A' ' 36' ' ' ILE . 17.1 p90 -150.46 159.18 44.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 108.01 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 7.7 p90 -160.89 131.26 5.18 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.0 p -82.89 149.95 26.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.449 ' OD1' ' C ' ' A' ' 33' ' ' GLY . 4.9 p-10 -113.18 -163.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -47.52 -61.6 1.84 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.594 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.35 57.27 1.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.349 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.449 ' C ' ' OD1' ' A' ' 30' ' ' ASP . . . -172.03 -173.16 38.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.452 HG22 HD11 ' A' ' 36' ' ' ILE . 3.0 m -149.35 119.88 7.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 0.741 . . . . 0.0 110.442 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.41 ' O ' HD13 ' A' ' 36' ' ' ILE . 4.1 mt -99.81 141.13 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.46 HD13 ' HB2' ' A' ' 27' ' ' TRP . 4.9 mm -124.02 151.56 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.407 ' OE2' ' O ' ' A' ' 38' ' ' ARG . 30.5 tp10 -153.44 141.44 20.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 110.238 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -140.83 162.49 35.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.351 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -178.8 -178.0 47.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 1.184 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.9 OUTLIER -94.76 171.7 8.62 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.506 ' N ' ' OE1' ' A' ' 20' ' ' GLU . . . 81.75 -160.5 41.29 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.436 1.085 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.4 t -153.74 90.27 3.37 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.599 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -74.94 178.89 6.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.559 1.82 . . . . 0.0 111.041 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.93 127.55 33.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.732 HG23 ' HB3' ' A' ' 51' ' ' LEU . 10.0 p -78.92 114.88 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.383 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -91.57 157.46 41.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.578 1.174 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 135.28 18.73 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.472 1.775 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.8 -29.52 11.19 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.475 1.109 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 74.6 t -110.67 141.56 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.431 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 81.5 m-20 -88.66 131.1 35.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.732 ' HB3' HG23 ' A' ' 45' ' ' VAL . 8.2 tp -150.65 131.3 13.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.565 ' N ' HD12 ' A' ' 51' ' ' LEU . 5.9 t-20 -129.77 133.85 47.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.8 m -106.09 142.31 36.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 108.293 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.95 159.58 44.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 108.3 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -108.69 16.25 23.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.475 ' O ' ' SG ' ' A' ' 59' ' ' CYS . 1.2 p -103.11 143.1 33.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 110.368 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 1.9 m-20 -65.56 145.76 55.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.597 ' HG3' ' CD2' ' A' ' 4' ' ' HIS . 4.9 ttp180 49.15 22.33 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.475 ' SG ' ' O ' ' A' ' 56' ' ' THR . 15.4 p -72.68 -22.18 60.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.491 1.119 . . . . 0.0 108.401 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 7.2 p-10 -89.87 90.75 8.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 1.124 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 7.5 t-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.521 ' CD2' ' SG ' ' A' ' 23' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.488 ' CB ' ' OD1' ' A' ' 57' ' ' ASP . 1.7 tt0 -94.31 114.3 26.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.259 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 71.9 m -102.52 159.18 15.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.453 1.096 . . . . 0.0 108.34 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.656 ' CD2' ' CG ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -68.94 165.21 20.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.597 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -127.86 -46.62 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.549 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -38.31 144.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.341 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.435 ' H ' ' HB2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -120.64 153.78 36.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m 57.41 -95.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 p -135.01 42.53 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.55 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -73.57 178.47 1.54 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.55 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.0 Cg_endo -75.09 175.15 11.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.456 1.767 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 105.21 2.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.518 1.799 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.4 p -141.48 139.39 33.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.378 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 3' ' ' CYS . 0.7 OUTLIER -132.38 170.78 14.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.553 1.158 . . . . 0.0 110.364 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -157.33 156.26 32.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -81.59 137.92 35.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 33.4 m -90.29 167.97 12.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 108.329 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -83.25 -161.61 0.52 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.018 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -38.4 -28.46 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.102 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.516 ' OE2' ' CA ' ' A' ' 41' ' ' GLY . 2.6 tt0 -78.37 133.26 37.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 0.0 110.229 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 21' ' ' THR . 10.1 t -121.05 72.25 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -147.6 160.99 42.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.521 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 99.3 m -141.7 140.16 33.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.534 1.146 . . . . 0.0 108.293 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.58 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 1.7 p90 -140.13 156.63 46.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.777 ' O ' HD12 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -131.03 141.86 50.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -140.35 131.81 26.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.512 ' CE2' ' HB3' ' A' ' 50' ' ' ASN . 23.9 p90 -142.51 159.3 42.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 107.992 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.5 p90 -160.6 133.89 6.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 108.003 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.9 p -87.5 138.21 31.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.045 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.427 ' OD2' ' HA3' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -101.49 -170.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 109.283 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.8 -61.22 2.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.556 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.54 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 1.9 ttp-105 -134.78 56.48 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.347 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.427 ' HA3' ' OD2' ' A' ' 30' ' ' ASP . . . -177.45 -176.91 45.9 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.2 m -152.72 119.87 5.85 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.534 0.785 . . . . 0.0 110.438 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.8 mm -100.15 140.45 19.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.589 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.5 mp -125.82 150.31 31.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.39 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.417 ' HG2' ' CG ' ' A' ' 7' ' ' GLN . 4.7 tm-20 -149.76 148.64 29.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.589 ' CZ ' ' CG2' ' A' ' 36' ' ' ILE . 2.1 mpt_? -144.65 161.3 39.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.62 -178.37 48.38 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.471 ' O ' ' CE2' ' A' ' 24' ' ' TYR . 6.8 m -86.62 168.0 14.03 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.516 ' CA ' ' OE2' ' A' ' 20' ' ' GLU . . . 82.16 -160.25 40.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.546 1.154 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.17 100.13 1.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.574 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -74.97 -178.3 4.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.525 1.802 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.95 136.73 35.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 45' ' ' VAL . 13.9 m -79.03 113.41 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.74 151.91 37.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 140.01 24.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.6 -15.5 61.89 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.5 t -124.3 147.91 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.409 0.711 . . . . 0.0 109.253 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.512 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 63.4 m-80 -94.89 132.18 39.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.777 HD12 ' O ' ' A' ' 25' ' ' LYS . 34.6 tp -145.06 142.43 29.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.482 ' H ' HD12 ' A' ' 51' ' ' LEU . 11.4 t-20 -132.09 149.21 52.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.2 m -121.68 139.72 53.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.413 ' SG ' ' HE3' ' A' ' 25' ' ' LYS . 5.1 p -160.74 166.12 29.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 108.271 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -129.35 29.22 5.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.474 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 0.7 OUTLIER -102.37 148.37 25.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.373 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.488 ' OD1' ' CB ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -66.27 131.3 45.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.241 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.656 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 43.9 ttp85 55.45 28.69 12.0 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.537 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 1.7 p -71.43 -12.66 61.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 108.308 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.547 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -89.17 87.45 7.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.405 ' OXT' ' CG ' ' A' ' 61' ' ' ASN . 15.7 p-10 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.758 HD13 ' HA ' ' A' ' 21' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -91.55 119.62 31.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.679 ' SG ' HD23 ' A' ' 1' ' ' LEU . 70.8 m -125.95 169.92 12.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.316 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.629 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 56.0 m-70 -71.48 158.8 35.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.546 1.154 . . . . 0.0 109.598 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.562 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 1.4 p30 -128.28 -40.13 1.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.537 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 1.5 pt20 -40.17 152.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.464 ' HG2' ' N ' ' A' ' 8' ' ' SER . 39.1 tt0 -130.13 149.45 51.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.464 ' N ' ' HG2' ' A' ' 7' ' ' GLN . 1.7 m 67.05 -97.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.028 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.67 30.04 3.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.518 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -62.05 178.79 0.3 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.518 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -75.02 170.59 20.07 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.537 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 18.2 Cg_endo -75.01 94.61 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.562 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 1.1 p -124.8 144.53 50.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.379 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 3' ' ' CYS . 0.4 OUTLIER -127.36 175.03 8.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -166.24 146.47 6.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -91.89 129.25 37.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.347 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.6 m -92.74 160.13 15.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 108.262 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.8 m -111.63 145.64 38.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 110.049 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 43.88 28.21 1.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.555 1.16 . . . . 0.0 111.037 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.412 ' OE1' ' HA ' ' A' ' 20' ' ' GLU . 5.6 tp10 -140.91 131.41 25.36 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.503 0.766 . . . . 0.0 110.386 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.758 ' HA ' HD13 ' A' ' 1' ' ' LEU . 6.3 t -128.98 38.7 3.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.47 HD21 ' NH2' ' A' ' 55' ' ' ARG . 7.6 m-80 -148.04 149.36 31.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.447 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 6.9 m -152.29 149.01 28.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 108.322 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.685 ' CD2' HD11 ' A' ' 51' ' ' LEU . 18.0 p90 -140.89 158.88 43.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.722 ' HD3' ' H ' ' A' ' 61' ' ' ASN . 4.8 pttp -124.8 142.38 51.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.519 ' HB3' HD12 ' A' ' 51' ' ' LEU . 1.3 ptpt -131.78 143.7 50.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 22.1 p90 -149.34 158.58 44.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 108.022 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.723 ' CZ2' HG21 ' A' ' 35' ' ' ILE . 30.8 p90 -160.82 134.7 6.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 108.042 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 m -84.24 137.55 33.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.465 1.103 . . . . 0.0 109.95 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.75 -170.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -48.05 -62.83 1.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.547 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.529 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 5.1 ttt180 -133.39 54.46 1.95 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.95 -172.59 42.56 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.1 m -149.93 124.68 9.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 0.735 . . . . 0.0 110.384 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.723 HG21 ' CZ2' ' A' ' 28' ' ' TRP . 94.6 mt -97.78 139.76 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.431 ' HB ' ' CA ' ' A' ' 8' ' ' SER . 5.7 mm -124.16 151.34 29.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -156.05 146.53 21.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.579 ' CZ ' ' HA ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -147.39 157.79 43.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.72 177.19 48.04 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.447 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.3 m -84.37 169.14 14.92 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.22 -169.05 37.54 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -161.77 79.66 2.03 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 177.29 8.8 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.501 1.79 . . . . 0.0 110.965 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.71 106.63 17.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.723 HG21 ' CB ' ' A' ' 51' ' ' LEU . 12.4 p -78.51 119.74 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.405 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.401 ' CE ' ' HD2' ' A' ' 47' ' ' PRO . 0.3 OUTLIER -77.36 170.52 15.93 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.401 ' HD2' ' CE ' ' A' ' 46' ' ' LYS . 18.3 Cg_endo -75.05 146.2 32.2 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.453 1.765 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.33 -31.84 7.31 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.564 1.165 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.408 HG13 ' HB3' ' A' ' 28' ' ' TRP . 58.8 t -112.05 151.15 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.781 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -96.52 140.22 31.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.723 ' CB ' HG21 ' A' ' 45' ' ' VAL . 8.5 tt -157.84 147.46 20.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.606 ' N ' HD23 ' A' ' 51' ' ' LEU . 46.7 t-20 -136.31 137.09 40.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.7 m -113.08 140.61 47.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 108.323 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -158.16 163.23 37.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 108.353 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.47 ' NH2' HD21 ' A' ' 22' ' ' ASN . 21.7 mtp85 -118.16 22.38 12.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.456 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -103.77 146.9 27.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.382 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.1 140.05 58.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.629 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 1.8 mtp-105 48.52 28.75 1.84 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.448 1.092 . . . . 0.0 110.268 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.456 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 13.0 p -81.39 -24.28 37.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 108.253 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.419 ' ND2' ' HB3' ' A' ' 23' ' ' CYS . 42.8 p-10 -94.76 84.71 4.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.722 ' H ' ' HD3' ' A' ' 25' ' ' LYS . 10.1 t-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.252 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.85 HD13 ' HA ' ' A' ' 21' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.579 ' HG3' HG22 ' A' ' 14' ' ' THR . 2.7 pt-20 -102.66 130.15 49.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.3 m -115.89 175.82 5.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 108.327 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.671 ' CD2' ' HB3' ' A' ' 61' ' ' ASN . 9.6 m-70 -66.93 169.19 8.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.561 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -131.12 -44.58 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.61 ' NE2' HH22 ' A' ' 38' ' ' ARG . 0.0 OUTLIER -40.82 151.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.505 ' OE1' ' CB ' ' A' ' 8' ' ' SER . 1.6 tm0? -124.9 145.25 49.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.226 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.505 ' CB ' ' OE1' ' A' ' 7' ' ' GLN . 1.8 m 64.73 -97.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.031 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.9 m -133.61 35.37 3.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.068 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.557 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -66.95 -178.67 0.36 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.557 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -75.05 173.47 14.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.8 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 109.45 2.93 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.785 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.6 p -142.16 136.67 30.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.399 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.579 HG22 ' HG3' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -126.73 164.4 21.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.44 168.76 7.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.7 m -71.02 137.29 48.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -84.91 172.61 11.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.587 1.18 . . . . 0.0 108.293 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' GLU . 5.8 m -73.14 -160.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.966 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.63 57.69 0.49 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.481 ' OE1' ' N ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -147.22 155.18 41.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 0.764 . . . . 0.0 110.29 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.85 ' HA ' HD13 ' A' ' 1' ' ' LEU . 2.5 t -117.92 28.66 8.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.441 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.603 HD21 HG23 ' A' ' 21' ' ' THR . 4.2 m-80 -152.15 158.46 42.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 90.5 m -146.1 155.54 42.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 108.269 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.559 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 27.5 p90 -138.1 160.9 38.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.508 ' CD ' ' HA ' ' A' ' 60' ' ' ASN . 1.0 OUTLIER -116.31 156.37 26.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -151.83 128.4 10.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.537 ' CE2' ' HB3' ' A' ' 50' ' ' ASN . 13.9 p90 -148.44 162.02 40.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.404 ' CZ2' HD13 ' A' ' 35' ' ' ILE . 13.4 p90 -158.55 138.35 12.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 108.039 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 m -83.68 143.85 29.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 32' ' ' ARG . 2.3 p30 -113.25 -162.6 0.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -49.81 -62.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.642 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.45 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 31.8 mtt180 -139.59 53.06 1.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.429 ' CA ' ' OD2' ' A' ' 30' ' ' ASP . . . -170.62 -174.29 38.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.6 m -153.84 126.24 8.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 110.351 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 27' ' ' TRP . 3.1 mt -100.39 137.52 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.402 ' HB ' ' O ' ' A' ' 8' ' ' SER . 19.4 mt -131.01 147.75 33.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.454 ' OE1' ' CG ' ' A' ' 7' ' ' GLN . 33.5 tp10 -157.98 149.23 21.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.715 ' NH2' ' HA ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -132.14 166.75 21.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.36 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.13 -179.07 47.31 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 3.5 m -90.05 175.73 7.06 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.422 ' HA2' ' CD ' ' A' ' 20' ' ' GLU . . . 76.07 -165.14 53.99 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 40.6 t -155.22 92.82 2.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.559 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -75.03 -179.24 4.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.446 1.761 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -83.22 133.69 35.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.528 HG12 HD22 ' A' ' 51' ' ' LEU . 32.7 m -79.13 113.54 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.085 . . . . 0.0 109.254 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.17 151.7 47.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.253 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 141.16 26.22 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.522 1.801 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.2 -32.59 5.82 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.576 1.172 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.2 t -102.09 142.49 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.537 ' HB3' ' CE2' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -85.34 133.75 34.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 109.284 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.528 HD22 HG12 ' A' ' 45' ' ' VAL . 3.6 tt -156.58 133.5 10.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 24' ' ' TYR . 12.4 t-20 -129.89 145.2 51.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.246 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.0 m -121.61 142.41 50.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 108.302 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.8 p -155.07 163.54 40.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 108.312 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.497 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 3.6 mtt85 -123.11 22.73 9.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.452 ' O ' ' SG ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -106.17 145.11 31.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 0.9 OUTLIER -60.93 139.71 57.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.336 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.667 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 40.9 ttp180 47.71 31.5 2.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 110.3 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 56' ' ' THR . 16.0 p -81.35 -22.67 38.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 108.334 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.508 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 39.9 p-10 -93.93 88.28 5.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.715 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 8.9 p-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.434 HD23 ' SG ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -94.9 118.97 32.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 14' ' ' THR . 56.4 m -128.77 169.6 14.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.308 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.606 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 92.9 m-70 -75.84 157.34 33.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.548 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 6' ' ' GLN . 1.3 p30 -119.89 -37.71 3.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.574 ' NE2' HH22 ' A' ' 38' ' ' ARG . 0.0 OUTLIER -36.57 149.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.091 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.431 ' HG2' ' N ' ' A' ' 8' ' ' SER . 34.9 tt0 -124.17 151.19 44.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.431 ' N ' ' HG2' ' A' ' 7' ' ' GLN . 1.7 m 62.32 -97.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.944 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 p -136.17 35.93 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.406 1.066 . . . . 0.0 110.021 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.556 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -66.71 -178.65 0.35 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.556 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 18.5 Cg_endo -74.98 170.42 20.45 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.537 1.809 . . . . 0.0 111.05 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.87 2.82 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.526 1.803 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.548 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 1.8 p -140.87 138.25 33.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.427 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -125.07 169.39 12.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 110.413 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.477 ' HZ3' ' C ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -167.46 149.83 5.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.477 ' C ' ' HZ3' ' A' ' 15' ' ' LYS . 19.0 m -87.32 132.12 34.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.398 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.408 ' SG ' ' NZ ' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -91.35 152.44 20.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 108.313 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.1 p -102.57 149.64 24.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.065 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 39.71 38.57 1.12 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.549 1.156 . . . . 0.0 111.033 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -157.3 135.97 11.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.418 ' C ' HD13 ' A' ' 1' ' ' LEU . 5.4 t -131.7 38.23 3.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.359 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -146.61 163.48 35.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.585 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 97.6 m -150.6 147.44 27.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 108.38 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.58 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 43.4 p90 -134.96 156.18 49.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.943 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.84 ' O ' HD22 ' A' ' 51' ' ' LEU . 7.8 mttm -109.5 148.91 30.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.458 ' HB3' HD23 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -147.72 127.97 13.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.428 1.08 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.575 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 22.8 p90 -151.32 159.84 44.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 107.989 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 9.4 p90 -160.28 143.24 13.49 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.0 p -80.18 137.58 36.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.945 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 32' ' ' ARG . 2.3 p30 -101.58 -161.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -49.73 -62.64 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.613 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.421 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 4.0 mtt180 -139.55 53.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.59 -175.14 40.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.602 1.189 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.568 HG22 HD11 ' A' ' 36' ' ' ILE . 4.2 m -136.62 123.56 21.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 0.8 . . . . 0.0 110.468 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.4 mt -95.52 133.26 37.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.568 HD11 HG22 ' A' ' 34' ' ' THR . 6.2 mm -119.38 147.75 22.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 38' ' ' ARG . 48.6 tp10 -161.49 156.55 23.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.574 HH22 ' NE2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -131.29 176.72 8.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.578 1.174 . . . . 0.0 110.239 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.513 ' HA3' ' CZ ' ' A' ' 24' ' ' TYR . . . -174.04 174.7 46.44 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.412 1.07 . . . . 0.0 111.05 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 69.0 m -104.6 148.27 26.71 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.86 -153.55 20.64 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 47.2 t -149.78 94.3 3.85 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.58 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 18.5 Cg_endo -74.95 178.64 6.97 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.23 137.35 33.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.707 HG12 HD12 ' A' ' 51' ' ' LEU . 17.0 m -78.99 113.4 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.09 153.26 37.86 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 146.78 33.35 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.485 1.782 . . . . 0.0 111.053 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.31 -10.16 64.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 66.3 t -129.67 139.16 52.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.486 0.757 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.575 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 57.6 m-80 -86.83 129.28 34.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.243 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.84 HD22 ' O ' ' A' ' 25' ' ' LYS . 2.9 tm? -137.52 133.77 34.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.416 ' N ' HD13 ' A' ' 51' ' ' LEU . 6.5 t-20 -132.47 149.12 52.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 55.0 m -125.1 142.42 51.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 108.29 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.9 p -154.63 164.41 38.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.598 1.186 . . . . 0.0 108.26 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -129.52 21.67 5.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.427 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -105.74 147.85 28.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 110.391 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.43 141.02 58.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.606 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 6.4 mtm180 49.85 25.95 1.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.427 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 19.9 p -71.46 -30.64 66.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 108.317 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.585 ' ND2' ' HB3' ' A' ' 23' ' ' CYS . 33.1 p30 -98.27 87.51 3.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.599 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . 36.7 t-20 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.493 HD13 ' CA ' ' A' ' 21' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.671 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 3.0 tt0 -97.4 120.2 37.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.352 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.578 ' O ' HG22 ' A' ' 14' ' ' THR . 94.1 m -121.32 160.81 23.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 108.284 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 22.9 m-70 -74.0 163.28 28.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.56 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' GLN . 1.3 m-20 -130.68 -43.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.547 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 0.2 OUTLIER -37.65 145.71 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.513 ' CG ' ' OE1' ' A' ' 37' ' ' GLU . 0.2 OUTLIER -125.38 153.38 43.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.487 ' O ' HD13 ' A' ' 36' ' ' ILE . 1.6 m 58.69 -95.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 110.035 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.98 44.83 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 109.94 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.517 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.0 mt-30 -77.82 177.53 2.69 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.547 ' O ' ' HB3' ' A' ' 6' ' ' GLN . 18.2 Cg_endo -74.97 173.56 14.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 0.0 111.043 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 92.95 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 p -124.71 138.6 54.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -127.87 172.77 10.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.377 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -157.68 158.79 36.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.358 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.8 m -98.67 128.17 44.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.341 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.3 m -100.01 149.31 23.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 108.308 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.07 155.45 41.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.55 -48.5 3.68 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.586 1.178 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.564 ' OE2' ' N ' ' A' ' 41' ' ' GLY . 0.0 OUTLIER -114.71 141.42 47.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.528 ' N ' ' HG2' ' A' ' 20' ' ' GLU . 67.0 p -117.66 51.01 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.399 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.455 ' ND2' ' C ' ' A' ' 21' ' ' THR . 3.3 m-80 -148.65 156.81 42.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.242 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 58.3 m -150.98 157.73 43.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 108.289 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.57 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 17.1 p90 -141.36 162.28 35.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.093 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -123.37 153.56 40.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 10.3 ptmt -150.52 136.16 18.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 18.3 p90 -150.14 162.36 40.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 108.027 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.0 p90 -160.08 134.77 7.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 107.99 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.6 p -89.53 143.8 26.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.597 1.185 . . . . 0.0 109.946 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 33' ' ' GLY . 1.1 p-10 -105.42 -170.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -47.53 -63.42 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.607 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.534 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 2.8 ttm180 -132.4 55.75 1.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -170.97 -177.06 40.61 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.2 m -154.13 118.44 4.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 0.0 110.364 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.1 mt -100.9 140.08 20.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.424 1.078 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.487 HD13 ' O ' ' A' ' 8' ' ' SER . 4.3 mp -123.54 150.29 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.513 ' OE1' ' CG ' ' A' ' 7' ' ' GLN . 7.0 tp10 -151.66 141.66 22.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.81 ' NH2' ' O ' ' A' ' 61' ' ' ASN . 1.8 mpt_? -147.72 153.84 39.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.24 -174.46 43.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.2 m -91.37 161.5 14.98 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.564 ' N ' ' OE2' ' A' ' 20' ' ' GLU . . . 101.33 -172.99 23.67 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.3 t -154.08 78.93 5.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.57 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -74.98 -179.71 5.25 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 111.045 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -83.72 137.71 33.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.611 HG23 ' HB3' ' A' ' 51' ' ' LEU . 13.9 p -78.36 113.06 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.18 160.55 65.28 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 149.31 36.24 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.47 1.773 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 71.08 4.08 54.45 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.7 t -130.18 138.94 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.786 . . . . 0.0 109.369 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.466 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -89.94 132.76 35.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.234 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.611 ' HB3' HG23 ' A' ' 45' ' ' VAL . 3.5 tt -151.82 137.65 18.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -138.54 138.12 37.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.3 m -107.28 145.19 33.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.428 1.08 . . . . 0.0 108.345 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -153.87 159.86 41.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 108.294 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -115.13 11.79 16.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.243 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.484 ' O ' ' SG ' ' A' ' 59' ' ' CYS . 1.4 p -98.93 143.51 29.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 110.404 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.671 ' OD1' ' N ' ' A' ' 2' ' ' GLU . 11.9 m-20 -66.69 147.16 53.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.518 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 11.3 mtm180 51.6 19.95 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 110.36 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 56' ' ' THR . 16.6 p -71.02 -24.26 62.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 108.331 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.439 ' C ' ' HG2' ' A' ' 38' ' ' ARG . 23.9 p30 -98.33 78.49 2.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 1.034 ' OD1' ' OXT' ' A' ' 61' ' ' ASN . 4.4 t-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 21' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.592 ' HG3' HG21 ' A' ' 14' ' ' THR . 8.1 pt-20 -100.95 125.01 47.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.595 ' O ' HG22 ' A' ' 14' ' ' THR . 72.3 m -103.45 167.44 9.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 108.345 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.608 ' CD2' ' CG ' ' A' ' 58' ' ' ARG . 0.8 OUTLIER -69.13 167.34 16.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.61 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -130.11 -43.56 1.19 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.507 ' CB ' ' HB3' ' A' ' 10' ' ' GLN . 1.0 OUTLIER -48.78 147.97 2.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.259 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -125.35 156.72 38.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.406 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 1.8 m 58.97 -97.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.917 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.63 42.09 2.85 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 110.065 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.542 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -75.29 177.6 2.26 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.542 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -74.99 174.5 12.67 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.499 1.789 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 107.08 2.4 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.554 1.818 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.8 p -142.1 138.98 32.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.409 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -132.92 172.07 13.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.65 155.78 7.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.353 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -64.18 136.09 56.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.409 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 3' ' ' CYS . 1.2 m -91.56 174.29 7.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 108.344 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 20' ' ' GLU . 5.5 t -82.76 -149.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.592 1.182 . . . . 0.0 109.984 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.36 57.12 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -136.77 158.23 44.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 0.803 . . . . 0.0 110.329 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.607 HG23 ' ND2' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -135.12 19.12 3.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.607 ' ND2' HG23 ' A' ' 21' ' ' THR . 1.7 m-80 -143.08 148.99 37.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.461 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 13.6 m -133.64 142.75 48.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 108.239 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.513 ' CZ ' ' HG3' ' A' ' 43' ' ' PRO . 7.0 p90 -132.65 160.63 36.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.728 ' HZ1' ' H ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -121.84 160.0 25.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.352 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -151.22 136.97 18.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.555 ' CE2' ' CB ' ' A' ' 50' ' ' ASN . 24.1 p90 -149.35 159.7 44.05 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.424 ' HB3' HG13 ' A' ' 49' ' ' VAL . 11.1 p90 -160.16 143.97 14.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 108.009 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.6 p -85.38 156.04 21.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.089 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.96 -166.13 1.35 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -62.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.585 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.96 51.08 2.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.404 1.065 . . . . 0.0 110.316 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.86 -171.07 35.81 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.562 1.164 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.7 m -153.23 120.01 5.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 0.777 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.5 mm -97.76 138.78 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.497 ' CG2' ' CZ ' ' A' ' 38' ' ' ARG . 2.2 mp -129.27 150.0 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -151.82 152.77 33.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.759 ' NH2' ' O ' ' A' ' 61' ' ' ASN . 2.0 mpt_? -146.45 149.77 34.32 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.17 -175.55 41.05 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.6 OUTLIER -88.7 173.95 8.3 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.56 -169.09 35.35 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.9 t -158.79 86.24 2.33 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.712 ' HG2' HD11 ' A' ' 51' ' ' LEU . 18.3 Cg_endo -75.0 179.5 6.02 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.543 1.812 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -83.7 135.56 34.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 45' ' ' VAL . 8.2 p -79.14 112.03 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.409 1.068 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.81 154.48 42.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 140.99 26.14 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.536 1.809 . . . . 0.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.63 -11.83 69.49 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.541 1.151 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.424 HG13 ' HB3' ' A' ' 28' ' ' TRP . 97.0 t -128.07 146.31 33.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 0.792 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.555 ' CB ' ' CE2' ' A' ' 27' ' ' TRP . 1.2 m120 -90.91 134.1 34.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.712 HD11 ' HG2' ' A' ' 43' ' ' PRO . 5.9 tt -152.05 134.91 15.59 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.508 ' N ' HD23 ' A' ' 51' ' ' LEU . 13.1 t-20 -140.24 142.17 35.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 68.3 m -115.51 147.49 40.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 108.284 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -151.18 163.4 38.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 108.307 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.491 ' CZ ' ' OD1' ' A' ' 22' ' ' ASN . 9.1 mtp85 -117.71 19.99 13.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.457 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -105.71 144.19 32.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.358 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.74 140.64 58.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.219 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.608 ' CG ' ' CD2' ' A' ' 4' ' ' HIS . 3.6 ttp180 48.04 29.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.457 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 26.6 p -72.08 -24.87 61.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.347 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.468 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 10.5 p30 -92.72 83.97 4.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.759 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 8.7 p-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 stop_ save_