data_1ccv_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 1ccv _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 ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.425 ' N ' ' OE1' ' A' ' 7' ' ' GLU . . . -107.29 -169.84 22.12 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.459 1.1 . . . . 0.0 111.041 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.98 127.88 11.05 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 7.1 m-20 83.32 1.89 1.03 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.612 1.195 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 4' ' ' GLY . 19.1 mt-10 -103.03 156.74 17.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.436 ' CG1' ' CG ' ' A' ' 39' ' ' GLN . 21.9 m -143.2 150.36 17.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.448 1.092 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.442 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.5 t80 -102.42 127.57 49.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.405 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 7.1 m-80 -128.63 133.68 48.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.482 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.2 p -83.81 4.22 30.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.48 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.6 OUTLIER -166.61 80.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 108.276 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -124.6 162.48 18.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.107 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.04 107.38 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.43 0.724 . . . . 0.0 109.994 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.454 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -59.85 -34.92 73.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.6 32.67 4.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 108.255 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.0 161.17 0.16 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.48 ' CD ' ' HB ' ' A' ' 25' ' ' THR . 18.2 Cg_endo -75.0 163.06 36.1 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.406 ' CG2' ' C ' ' A' ' 18' ' ' PRO . 44.2 p -150.73 -170.09 3.56 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.424 1.077 . . . . 0.0 110.381 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -22.08 65.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.371 1.044 . . . . 0.0 108.242 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.25 -52.82 5.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -113.84 95.8 38.88 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 1.15 8.06 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.483 1.781 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.54 113.72 16.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.48 ' HB ' ' CD ' ' A' ' 18' ' ' PRO . 15.3 t -97.83 174.35 6.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.184 . . . . 0.0 110.489 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -175.49 46.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.393 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.403 ' O ' ' O ' ' A' ' 26' ' ' ARG . 1.3 mp 58.11 160.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.08 -33.3 6.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 108.305 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.444 ' HG1' ' N ' ' A' ' 30' ' ' MET . 1.3 t -179.4 174.25 1.02 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.448 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.444 ' N ' ' HG1' ' A' ' 29' ' ' THR . 0.8 OUTLIER -68.55 71.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 174.67 112.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.433 1.083 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.48 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 5.4 m -54.45 178.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 108.291 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.454 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -128.86 127.18 41.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.482 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 2.3 mt -93.4 118.21 38.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.81 179.86 36.74 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 86.9 m -82.16 149.96 27.67 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.405 ' NE2' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -141.1 177.72 7.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 44' ' ' ARG . 58.0 m -90.54 130.6 36.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 108.284 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.436 ' CG ' ' CG1' ' A' ' 8' ' ' VAL . 47.8 mt-30 -67.59 169.52 9.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.57 103.9 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.4 3.28 8.01 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.465 1.103 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 6' ' ' ASN . 28.3 m-85 -132.71 151.55 51.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.523 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 73.0 mt -128.3 140.11 52.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.366 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.402 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 4.0 ttm180 -80.5 130.51 35.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.533 ' O ' ' N ' ' A' ' 47' ' ' GLU . 14.0 p-10 -99.92 149.9 22.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -33.98 -32.12 0.02 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.548 1.155 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 45' ' ' ASN . 2.2 tt0 -83.37 35.89 0.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.559 0.799 . . . . 0.0 110.322 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 36.74 37.04 0.19 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.542 1.151 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.51 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -114.36 123.74 50.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.8 m -80.95 95.18 6.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 108.317 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.1 m -113.64 144.12 21.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.19 156.67 0.96 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.523 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.07 -30.26 7.26 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.456 1.766 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.47 -6.13 48.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.22 0.72 16.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.813 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.64 -173.17 41.28 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.507 1.129 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.3 Cg_endo -74.96 127.44 10.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.576 1.829 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.566 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 8.1 m-20 83.34 2.07 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -106.26 164.23 12.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.467 HG11 ' CG ' ' A' ' 39' ' ' GLN . 3.1 m -142.64 179.31 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.44 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.6 t80 -130.5 135.03 47.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.945 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.431 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -131.44 129.3 41.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.61 1.194 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.478 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.2 p -82.04 -9.81 59.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.456 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.502 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 2.1 t -149.95 73.45 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 108.236 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.52 -164.05 22.61 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.45 1.094 . . . . 0.0 111.013 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.56 121.31 37.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 0.0 110.025 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.86 -21.93 63.74 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 109.269 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.0 m -119.01 38.1 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 108.273 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -44.53 164.01 0.18 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.208 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.431 ' CA ' ' O ' ' A' ' 22' ' ' GLN . 18.5 Cg_endo -75.07 150.9 38.54 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.592 1.838 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.8 p -137.48 -166.99 2.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 110.45 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -28.76 67.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 108.285 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.23 -65.34 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.371 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.431 ' O ' ' CA ' ' A' ' 18' ' ' PRO . 5.6 mt-30 -110.26 98.91 37.87 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 2.21 6.91 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.99 115.96 20.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.4 m -40.99 161.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.369 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -152.6 39.65 0.56 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.567 1.167 . . . . 0.0 110.361 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' A' ' 26' ' ' ARG . 4.0 mp 54.32 167.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.24 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.423 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 0.5 OUTLIER -147.1 -47.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 108.378 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.6 t -174.41 -171.75 0.61 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.453 ' O ' ' CB ' ' A' ' 31' ' ' GLN . 1.8 mtt -88.41 78.82 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.453 ' CB ' ' O ' ' A' ' 30' ' ' MET . 0.9 OUTLIER 164.35 161.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.404 1.065 . . . . 0.0 110.347 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.502 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 4.0 m -86.9 -178.67 6.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 108.26 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.489 ' C ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -133.89 119.89 19.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.339 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.478 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 0.6 OUTLIER -91.23 117.38 34.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.61 176.13 38.05 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.447 1.092 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.44 ' SG ' ' CD2' ' A' ' 9' ' ' PHE . 98.1 m -83.86 148.59 26.89 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.431 ' NE2' ' HB2' ' A' ' 10' ' ' ASN . 0.8 OUTLIER -135.54 -177.09 4.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 65.8 m -93.54 131.09 39.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 108.306 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.467 ' CG ' HG11 ' A' ' 8' ' ' VAL . 61.3 mt-30 -66.33 168.42 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -62.5 103.72 0.44 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.16 3.03 8.28 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.529 1.143 . . . . 0.0 111.05 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 28.0 m-85 -133.14 154.47 50.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 0.731 . . . . 0.0 111.055 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.486 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 55.9 mt -129.46 149.95 51.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -84.66 133.99 34.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.563 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 27.4 p-10 -108.69 146.29 33.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.248 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.453 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.92 -29.02 0.02 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.583 1.177 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.4 OUTLIER -78.96 32.22 0.21 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 0.79 . . . . 0.0 110.233 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.453 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.96 34.15 0.27 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.563 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.61 163.4 15.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.4 m -111.53 100.89 9.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.102 . . . . 0.0 108.324 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.9 m -115.86 141.9 31.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.402 1.064 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.28 156.96 1.75 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.486 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 17.9 Cg_endo -75.04 -29.89 7.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.391 1.732 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -75.21 -6.42 49.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.344 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.23 0.74 16.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.881 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.6 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.401 ' N ' ' OE1' ' A' ' 7' ' ' GLU . . . -100.18 -172.27 29.88 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.522 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.4 Cg_endo -74.98 126.5 10.02 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.575 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 6.1 m-20 83.57 1.8 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.211 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.401 ' OE1' ' N ' ' A' ' 4' ' ' GLY . 24.0 mt-10 -101.61 158.03 16.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 0.0 110.371 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.48 ' CG1' ' CG ' ' A' ' 39' ' ' GLN . 8.4 m -145.37 152.38 14.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.492 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 0.8 OUTLIER -106.12 129.6 54.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 111.042 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.429 ' OD1' ' CD ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -132.53 131.86 42.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.591 1.182 . . . . 0.0 109.256 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.497 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.2 p -77.98 -4.77 48.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.495 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.501 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 1.0 OUTLIER -153.55 76.91 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 108.333 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.24 176.46 21.82 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.477 1.111 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.91 108.24 5.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 109.999 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.76 -30.49 61.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.608 1.193 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.71 35.78 3.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.237 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.47 164.9 0.3 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 0.0 109.353 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.459 ' CD ' ' HB ' ' A' ' 25' ' ' THR . 18.5 Cg_endo -74.92 163.16 36.03 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.547 1.814 . . . . 0.0 111.078 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.2 p -151.88 176.88 11.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.369 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -21.11 12.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 108.352 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.9 -53.42 4.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -113.92 96.39 41.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.74 8.55 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.496 1.787 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -126.45 116.12 20.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.459 ' HB ' ' CD ' ' A' ' 18' ' ' PRO . 7.5 t -99.54 174.92 6.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.435 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -175.36 48.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.381 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 26' ' ' ARG . 3.2 mp 57.46 161.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.94 -35.1 6.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 108.345 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.6 t -174.74 -163.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.388 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 ttt -82.91 76.89 9.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 169.21 160.15 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.072 . . . . 0.0 110.354 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.501 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 6.0 m -98.8 -177.28 3.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.488 1.118 . . . . 0.0 108.238 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.474 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -134.18 118.43 17.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.322 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.497 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -85.98 118.45 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.4 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.79 178.95 36.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.492 ' SG ' ' CD2' ' A' ' 9' ' ' PHE . 95.4 m -87.68 138.9 31.06 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.429 ' CD ' ' OD1' ' A' ' 10' ' ' ASN . 12.6 pt20 -127.24 -176.87 3.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 44' ' ' ARG . 59.1 m -93.4 121.18 34.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.426 1.079 . . . . 0.0 108.296 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.48 ' CG ' ' CG1' ' A' ' 8' ' ' VAL . 39.7 mt-30 -54.18 168.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.317 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -64.84 104.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.06 2.37 7.79 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.432 1.082 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 6' ' ' ASN . 22.9 m-85 -133.15 151.53 51.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 0.75 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.518 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 30.9 mt -129.57 142.95 50.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.457 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 0.8 OUTLIER -81.07 130.44 35.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' GLY . 15.8 p-10 -96.36 151.69 19.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -33.68 -32.61 0.02 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.473 1.108 . . . . 0.0 111.081 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 45' ' ' ASN . 1.4 tt0 -84.57 36.12 0.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 0.723 . . . . 0.0 110.371 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 36.87 38.1 0.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.436 1.085 . . . . 0.0 111.034 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.472 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -113.4 121.55 44.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.2 m -78.69 95.23 5.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.603 1.189 . . . . 0.0 108.365 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.5 m -115.43 145.86 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.438 ' HG ' ' CD2' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -53.97 156.98 4.62 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.518 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.7 Cg_endo -75.03 -29.83 7.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.78 . . . . 0.0 110.982 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -75.05 -6.14 47.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 110.297 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.23 0.18 15.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.449 -0.522 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.423 ' SG ' ' C ' ' A' ' 8' ' ' VAL . 3.5 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.63 -168.47 20.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.106 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.528 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.97 130.42 13.29 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.509 1.794 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.573 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.3 m-20 83.73 0.88 1.02 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -105.85 165.42 11.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.435 1.084 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.482 ' CG2' ' HG2' ' A' ' 39' ' ' GLN . 1.4 m -142.41 175.22 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.429 ' CD1' ' SG ' ' A' ' 36' ' ' CYS . 1.6 t80 -122.67 131.93 54.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.499 ' ND2' ' NE2' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -127.41 123.75 36.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.486 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.1 p -79.05 -20.33 49.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.488 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -144.4 79.85 1.62 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 108.291 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -106.92 175.68 20.83 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.517 1.136 . . . . 0.0 110.949 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.9 123.45 18.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.43 0.724 . . . . 0.0 110.017 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.23 -24.19 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.634 1.209 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' O ' ' O ' ' A' ' 17' ' ' ALA . 2.1 m -136.89 53.96 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 108.235 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 16' ' ' CYS . . . -44.47 167.69 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.499 ' O ' ' CG2' ' A' ' 19' ' ' THR . 18.4 Cg_endo -74.95 156.79 43.22 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 18' ' ' PRO . 21.1 p -157.44 -171.15 3.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -28.33 69.93 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.437 1.085 . . . . 0.0 108.27 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.75 -41.16 19.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -124.67 90.29 51.14 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.368 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 1.29 7.89 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.507 1.793 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.93 113.5 16.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.9 m -38.72 142.35 0.21 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.55 1.156 . . . . 0.0 110.377 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -155.38 94.7 1.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.291 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.6 mp -45.08 160.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -123.78 -43.91 2.11 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 124.427 1.079 . . . . 0.0 108.322 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.3 t -155.66 178.67 9.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.57 80.7 9.15 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.548 1.155 . . . . 0.0 111.025 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 176.07 149.86 0.12 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.614 1.196 . . . . 0.0 110.387 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.488 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 3.2 m -93.46 169.7 10.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 108.34 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.519 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -131.63 128.8 39.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 110.338 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.486 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 0.9 OUTLIER -89.78 121.73 40.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.606 1.191 . . . . 0.0 109.238 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.21 167.43 30.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.454 1.097 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.429 ' SG ' ' CD1' ' A' ' 9' ' ' PHE . 93.9 m -78.17 146.97 34.73 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.499 ' NE2' ' ND2' ' A' ' 10' ' ' ASN . 7.2 pt20 -134.19 -176.31 4.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.408 ' SG ' ' C ' ' A' ' 43' ' ' LEU . 55.1 m -95.02 128.35 41.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.302 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.482 ' HG2' ' CG2' ' A' ' 8' ' ' VAL . 30.9 mt-30 -63.67 174.77 1.26 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 110.35 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -66.42 104.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 110.262 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.34 -2.5 8.92 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.527 1.142 . . . . 0.0 111.079 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 8.8 m-85 -129.96 152.61 49.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 0.731 . . . . 0.0 111.102 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 17.0 mt -130.57 147.11 52.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.61 1.194 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 4.4 ttp180 -81.73 133.83 35.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.24 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.555 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 27.6 p-10 -109.55 146.47 34.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.352 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.458 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.57 -29.04 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ASN . 2.0 tt0 -79.01 32.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.6 33.74 0.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.594 1.184 . . . . 0.0 111.054 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.555 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.63 160.56 19.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 0.802 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.5 m -108.53 98.31 7.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 108.316 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.8 m -115.1 143.45 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.07 156.55 1.32 Allowed Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.474 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 17.8 Cg_endo -75.15 -29.69 7.74 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -75.29 -7.13 53.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.087 . . . . 0.0 110.181 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -110.55 -0.22 17.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.6 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.13 176.26 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.6 Cg_endo -74.86 126.17 9.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.77 . . . . 0.0 111.09 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.574 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 6.4 m-20 82.04 4.54 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.077 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -103.13 159.74 15.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.472 HG11 ' CG ' ' A' ' 39' ' ' GLN . 16.1 m -144.64 150.23 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.602 1.189 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.444 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.9 t80 -99.74 126.25 45.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 111.085 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.685 HD21 ' NE2' ' A' ' 37' ' ' GLN . 2.9 m-80 -124.75 131.72 53.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.414 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.0 OUTLIER -83.51 6.04 21.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.585 1.178 . . . . 0.0 110.362 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.491 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -170.7 77.87 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 108.342 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.26 176.09 16.19 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.8 p -64.46 108.0 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 0.79 . . . . 0.0 109.968 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.08 -32.19 54.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 m -114.4 41.92 2.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 108.322 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.19 172.53 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 149.68 37.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.3 p -137.01 169.86 17.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -23.93 21.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 108.265 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.25 -42.94 11.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.575 1.172 . . . . 0.0 109.227 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -119.31 80.27 20.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.407 1.067 . . . . 0.0 110.31 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.471 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.92 62.82 5.86 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.75 140.76 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.599 1.187 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 m -66.68 152.12 46.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.411 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.07 87.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mp -40.77 160.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -126.64 -44.81 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 108.305 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.0 p -132.66 -176.69 4.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 110.379 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -94.71 37.55 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.68 171.49 14.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.491 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 5.1 m -98.28 -179.68 4.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 108.317 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.38 119.74 22.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.414 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 4.1 mt -88.69 120.19 37.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.03 176.75 31.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.592 1.182 . . . . 0.0 110.972 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 60.9 m -78.53 147.43 33.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.685 ' NE2' HD21 ' A' ' 10' ' ' ASN . 3.7 pt20 -139.33 -179.2 5.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 44' ' ' ARG . 33.8 m -90.67 126.07 35.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 108.282 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.472 ' CG ' HG11 ' A' ' 8' ' ' VAL . 39.5 mt-30 -61.29 168.85 2.43 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.544 1.153 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -64.28 102.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.05 -0.39 6.6 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.43 1.081 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 6' ' ' ASN . 28.2 m-85 -129.95 154.33 47.47 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.477 0.751 . . . . 0.0 110.951 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 25.8 mt -132.1 140.23 48.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.441 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 3.3 ttt180 -79.23 130.29 35.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.543 ' O ' ' N ' ' A' ' 48' ' ' GLY . 24.1 p-10 -95.06 152.31 18.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -34.32 -32.06 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.617 1.198 . . . . 0.0 110.96 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -84.82 35.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 0.789 . . . . 0.0 110.288 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 37.88 38.33 0.5 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 0.0 110.951 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.49 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -113.32 120.21 40.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 0.74 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.7 m -77.8 96.12 4.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.108 . . . . 0.0 108.311 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.6 m -118.5 146.87 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.466 ' HG ' ' CD2' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -54.57 156.74 5.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.477 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.2 Cg_endo -74.99 -29.67 7.98 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -75.43 -5.97 47.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -111.85 0.26 16.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.573 1.171 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.1 m . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.93 176.09 0.12 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.57 1.169 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.517 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.4 Cg_endo -74.96 125.84 9.61 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.47 1.774 . . . . 0.0 110.998 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 6.0 m-20 82.8 4.75 0.98 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -104.63 158.04 16.77 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.577 1.173 . . . . 0.0 110.308 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.491 ' CG1' ' CG ' ' A' ' 39' ' ' GLN . 18.4 m -142.61 154.19 17.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.076 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.468 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 2.1 t80 -102.63 127.98 49.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.661 HD21 ' NE2' ' A' ' 37' ' ' GLN . 3.0 m-80 -128.19 138.46 52.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.197 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.457 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 1.0 OUTLIER -89.25 12.84 14.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 0.0 110.393 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.486 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -178.09 78.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.603 1.19 . . . . 0.0 108.287 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.429 ' O ' ' CG ' ' A' ' 33' ' ' ARG . . . -109.81 165.64 12.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.443 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -45.91 103.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.77 . . . . 0.0 110.017 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.92 -36.93 3.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m -122.1 51.25 1.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 108.253 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.09 168.52 0.34 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.256 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 157.86 42.73 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.464 1.77 . . . . 0.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.0 p -142.16 -176.39 4.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.382 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.6 -28.97 69.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 108.247 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.17 -45.84 14.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.382 1.052 . . . . 0.0 109.344 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -116.86 80.62 11.21 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.469 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.01 62.67 5.91 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.797 . . . . 0.0 111.065 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.3 pttt -179.02 122.36 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.402 1.063 . . . . 0.0 109.353 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 m -42.34 159.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.377 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.26 85.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -44.84 160.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -125.91 -45.58 1.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 108.326 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 30' ' ' MET . 8.8 t -153.33 -171.39 3.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.436 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.408 ' N ' ' OG1' ' A' ' 29' ' ' THR . 3.0 ttm -90.87 51.57 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -145.57 165.94 27.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.486 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 6.2 m -112.84 178.12 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 108.314 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.443 ' NH1' ' O ' ' A' ' 14' ' ' SER . 0.6 OUTLIER -123.79 126.69 46.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.457 ' CD1' ' O ' ' A' ' 11' ' ' THR . 1.0 OUTLIER -96.35 116.26 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.88 -177.1 33.15 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.436 1.085 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 66.6 m -78.51 152.53 31.95 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.661 ' NE2' HD21 ' A' ' 10' ' ' ASN . 4.1 pt20 -144.14 -178.16 5.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 61.7 m -91.63 125.81 36.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 108.288 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.491 ' CG ' ' CG1' ' A' ' 8' ' ' VAL . 41.8 mt-30 -61.85 168.81 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -64.51 102.72 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 110.321 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.06 0.58 6.97 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.45 1.094 . . . . 0.0 111.032 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 6' ' ' ASN . 28.7 m-85 -129.8 153.09 48.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 111.017 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.524 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 54.3 mt -130.49 138.11 50.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -78.22 130.49 36.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.387 1.054 . . . . 0.0 110.377 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' GLY . 18.8 p-10 -97.53 150.9 20.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -34.14 -31.94 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.555 1.16 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -83.54 34.97 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.594 0.82 . . . . 0.0 110.312 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 37.5 38.09 0.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.602 1.189 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.523 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -114.83 122.42 46.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.535 0.785 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 19.5 m -79.01 96.04 5.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 108.258 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.3 m -116.79 145.43 22.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 mp -52.13 157.23 2.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.524 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.07 -29.34 8.22 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.573 1.828 . . . . 0.0 110.983 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -75.02 -7.48 53.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.345 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -111.14 0.9 17.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.105 . . . . 0.0 109.237 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.423 ' SG ' ' C ' ' A' ' 8' ' ' VAL . 2.6 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.35 -161.23 34.15 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.525 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.4 Cg_endo -75.02 128.74 11.71 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.559 1.82 . . . . 0.0 110.999 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 6.3 m-20 84.8 -0.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -107.81 156.26 19.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.361 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.475 ' CG1' ' CD ' ' A' ' 39' ' ' GLN . 18.0 m -140.12 160.63 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.415 ' HB2' ' SG ' ' A' ' 3' ' ' CYS . 2.3 t80 -108.8 129.96 55.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.616 1.197 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.465 ' ND2' ' NE2' ' A' ' 37' ' ' GLN . 1.3 m-80 -127.72 127.4 43.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.487 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.1 p -79.33 -13.12 59.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.565 1.166 . . . . 0.0 110.422 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.494 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -150.93 80.51 1.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 108.321 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.8 -179.19 19.57 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 p -70.73 111.07 5.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.421 0.718 . . . . 0.0 110.013 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.64 -17.94 26.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -123.99 31.96 5.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 108.322 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -43.93 164.95 0.14 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.484 ' CD ' ' HB ' ' A' ' 25' ' ' THR . 18.1 Cg_endo -75.0 160.0 40.68 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.444 1.76 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.7 p -152.23 -173.5 4.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.348 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -20.74 66.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.582 1.177 . . . . 0.0 108.34 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.2 -47.02 8.06 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -119.07 96.27 49.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.93 8.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.439 1.758 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.95 115.34 17.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.484 ' HB ' ' CD ' ' A' ' 18' ' ' PRO . 9.3 t -96.25 173.85 7.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 110.404 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.41 ' CD ' ' O ' ' A' ' 26' ' ' ARG . 4.9 tmm_? -175.58 48.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mp 58.03 160.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.42 -34.16 6.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 108.328 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.7 t -172.43 -172.41 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.471 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.76 61.92 1.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 111.068 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -174.96 169.71 3.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.494 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 4.3 m -107.56 176.06 5.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.595 1.185 . . . . 0.0 108.256 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -127.88 128.49 45.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.487 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -95.73 117.24 39.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.364 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.25 175.78 36.21 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 87.9 m -80.52 151.2 29.31 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.465 ' NE2' ' ND2' ' A' ' 10' ' ' ASN . 3.1 pt20 -141.37 179.45 6.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.361 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 89.6 m -90.55 133.47 35.06 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.543 1.152 . . . . 0.0 108.321 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.475 ' CD ' ' CG1' ' A' ' 8' ' ' VAL . 36.7 mt-30 -73.17 176.1 6.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -66.33 103.48 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.184 . . . . 0.0 110.222 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.89 -0.44 8.41 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 6' ' ' ASN . 14.4 m-85 -131.94 151.84 51.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 0.794 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.482 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 23.6 mt -128.56 150.19 50.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.433 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 1.3 tpt180 -84.62 136.29 33.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.544 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 27.1 p-10 -112.62 146.18 39.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.451 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.68 -29.2 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.453 1.096 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.3 OUTLIER -78.69 33.17 0.2 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 0.792 . . . . 0.0 110.321 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 37.92 33.43 0.15 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.544 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -114.61 165.36 12.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 0.768 . . . . 0.0 109.356 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.4 m -114.27 99.33 7.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 108.294 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.3 m -114.43 143.02 25.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 mp -50.53 156.9 1.38 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.482 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.5 Cg_endo -75.02 -29.16 8.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.466 1.772 . . . . 0.0 110.947 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.22 -8.06 55.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -109.95 -0.03 18.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 109.342 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.2 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.43 178.51 1.52 Allowed Glycine 0 CA--C 1.532 1.107 0 O-C-N 124.51 1.131 . . . . 0.0 110.939 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.99 127.3 10.58 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.539 1.81 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 7.2 m-20 83.25 3.29 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.599 1.187 . . . . 0.0 109.284 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -107.4 158.22 17.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 110.352 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.454 HG11 ' CG ' ' A' ' 39' ' ' GLN . 24.5 m -140.74 160.93 24.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 2.1 t80 -107.4 127.7 53.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.53 1.144 . . . . 0.0 111.062 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.488 ' ND2' ' NE2' ' A' ' 37' ' ' GLN . 2.4 m-80 -127.61 130.45 49.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.473 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.0 OUTLIER -78.5 -12.67 60.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.394 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.494 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -150.65 79.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 108.249 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.52 176.84 20.4 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.524 1.14 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 p -69.69 108.35 3.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.389 0.699 . . . . 0.0 110.001 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.16 -34.07 21.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -115.2 44.08 1.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 108.265 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.73 171.96 0.11 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.502 ' O ' ' CG2' ' A' ' 19' ' ' THR . 18.1 Cg_endo -75.01 161.82 38.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.552 1.817 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 18' ' ' PRO . 32.2 p -156.93 179.56 9.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -26.65 50.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 108.332 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.32 -48.88 9.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -115.28 91.57 28.63 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.174 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 1.2 7.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.57 1.826 . . . . 0.0 111.029 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.77 -172.17 2.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.9 m -102.64 140.51 36.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.78 86.45 1.12 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -43.68 159.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.202 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.83 -42.99 2.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.281 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.3 t -168.56 177.86 5.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.36 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.5 mtt -85.63 67.02 9.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.94 125.99 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.494 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 3.8 m -73.03 175.61 6.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 108.283 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.496 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -130.19 122.18 27.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.354 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.473 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -88.93 117.21 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.87 178.23 35.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.475 1.11 . . . . 0.0 110.974 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 64.4 m -79.15 149.46 31.99 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.488 ' NE2' ' ND2' ' A' ' 10' ' ' ASN . 4.4 pt20 -141.23 -178.74 5.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.5 m -89.89 131.3 35.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 108.253 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.454 ' CG ' HG11 ' A' ' 8' ' ' VAL . 30.5 mt-30 -68.01 168.72 11.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.265 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -63.86 103.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.083 . . . . 0.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.69 0.36 7.22 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.377 1.048 . . . . 0.0 111.027 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 6' ' ' ASN . 33.9 m-85 -129.18 153.28 47.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.512 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 55.2 mt -130.47 137.81 49.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.388 1.055 . . . . 0.0 109.363 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -78.99 129.21 34.21 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.557 1.161 . . . . 0.0 110.225 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.543 ' O ' ' N ' ' A' ' 48' ' ' GLY . 23.3 p-10 -94.74 151.86 18.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -34.02 -32.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.409 1.068 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 45' ' ' ASN . 5.1 tt0 -84.43 35.8 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 0.745 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 37.23 37.88 0.33 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.481 1.113 . . . . 0.0 111.057 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.505 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -112.48 120.61 42.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.2 m -78.03 95.72 4.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 108.377 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.4 m -117.77 145.49 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.356 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.23 156.92 2.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.512 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.96 -30.21 7.47 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.479 1.778 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -75.01 -6.65 50.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.378 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.22 0.41 16.76 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.45 -0.463 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.863 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.7 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.53 177.11 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.96 126.39 9.96 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.549 1.815 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 5.9 m-20 83.26 3.43 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.402 ' HG2' ' SG ' ' A' ' 50' ' ' CYS . 27.9 mt-10 -103.9 156.52 17.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.439 HG12 ' CG ' ' A' ' 39' ' ' GLN . 3.0 m -140.06 152.58 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.448 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.4 t80 -103.04 127.04 50.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.419 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 3.7 m-80 -125.24 129.97 51.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.472 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.0 OUTLIER -79.28 -6.5 56.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.445 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.517 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 1.7 t -148.93 75.4 1.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.145 . . . . 0.0 108.278 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.64 -152.92 25.47 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.528 1.142 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.01 121.54 45.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.929 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.72 -26.58 67.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 17' ' ' ALA . 17.1 m -123.06 35.58 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.376 1.047 . . . . 0.0 108.302 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 16' ' ' CYS . . . -44.97 168.18 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.359 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.51 ' O ' ' CG2' ' A' ' 19' ' ' THR . 18.0 Cg_endo -75.04 157.22 42.74 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.46 1.768 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.51 ' CG2' ' O ' ' A' ' 18' ' ' PRO . 19.4 p -157.8 -172.92 4.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.427 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -19.68 49.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 108.254 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.98 -49.56 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -118.89 91.67 43.36 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 110.264 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 2.09 7.02 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 25' ' ' THR . 6.2 pttm -127.35 117.4 22.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.075 . . . . 0.0 109.233 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 24' ' ' LYS . 22.8 m -38.9 158.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.365 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -169.61 88.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 110.334 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 26' ' ' ARG . 2.5 mp -41.17 161.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.1 m -129.52 -46.65 1.18 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.437 1.086 . . . . 0.0 108.318 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.7 t -151.32 -174.67 4.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.481 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.68 87.48 5.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 170.22 137.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.517 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 9.0 m -73.28 176.88 5.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.637 1.21 . . . . 0.0 108.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.505 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -126.35 116.1 20.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.601 1.188 . . . . 0.0 110.324 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.472 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -87.81 119.03 34.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.52 176.74 32.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 59.8 m -78.19 152.39 32.69 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.419 ' NE2' ' HB2' ' A' ' 10' ' ' ASN . 1.1 pt20 -142.04 -179.29 6.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 95.1 m -93.58 132.21 38.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 108.285 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.439 ' CG ' HG12 ' A' ' 8' ' ' VAL . 36.2 mt-30 -69.53 171.96 8.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.252 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -64.57 103.52 0.68 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 110.262 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.97 -3.47 7.93 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' A' ' 6' ' ' ASN . 17.9 m-85 -127.46 153.03 46.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 0.744 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.485 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 16.7 mt -128.83 150.12 50.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.442 1.089 . . . . 0.0 109.344 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.417 ' NH1' ' HA2' ' A' ' 48' ' ' GLY . 4.3 ttp85 -85.26 134.21 34.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 110.392 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.542 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 26.0 p-10 -110.75 146.17 36.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.449 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.56 -29.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.5 OUTLIER -78.94 33.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 110.308 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.449 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.09 33.13 0.15 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.542 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -113.97 163.01 15.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.418 0.716 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.402 ' SG ' ' HG2' ' A' ' 7' ' ' GLU . 1.4 m -111.85 98.52 7.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.184 . . . . 0.0 108.328 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.9 m -114.59 142.65 26.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.85 156.77 1.54 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.485 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.1 Cg_endo -74.99 -29.9 7.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -75.63 -6.43 50.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 110.335 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.17 -0.67 17.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.376 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.2 t . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.85 -173.23 44.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.073 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 17.8 Cg_endo -75.0 126.41 9.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 111.019 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.569 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.3 m-20 81.92 3.33 1.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -109.57 160.82 15.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.339 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 39' ' ' GLN . 4.6 m -141.79 177.74 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.433 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.5 t80 -125.31 132.21 52.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.031 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -132.41 133.93 44.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.478 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.1 p -81.1 -34.05 32.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.425 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.486 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 1.0 OUTLIER -131.5 77.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 108.259 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.84 169.61 13.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.44 1.088 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.434 ' C ' ' N ' ' A' ' 16' ' ' CYS . 1.8 p -48.89 103.76 0.05 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.577 0.81 . . . . 0.0 110.032 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.448 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -41.05 -30.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.434 ' N ' ' C ' ' A' ' 14' ' ' SER . 3.6 m -131.81 59.71 1.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.584 1.177 . . . . 0.0 108.279 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.57 168.81 0.36 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.321 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 157.66 42.62 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.8 p -144.81 -173.34 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.435 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.13 -20.38 65.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 108.235 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.51 -46.29 7.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -118.41 87.86 31.88 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 110.259 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 1.46 7.71 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.539 1.81 . . . . 0.0 111.063 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' THR . 3.5 mttm -120.43 114.93 22.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' LYS . 16.6 m -38.38 156.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -166.38 90.38 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.583 1.177 . . . . 0.0 110.284 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 26' ' ' ARG . 2.6 mp -40.6 159.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.401 1.063 . . . . 0.0 109.332 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.1 m -124.57 -44.94 1.95 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.446 1.091 . . . . 0.0 108.306 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.6 t -154.31 -177.17 6.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.082 . . . . 0.0 110.405 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.3 ttm -86.63 60.59 6.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.592 1.183 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -160.75 164.51 31.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.486 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 3.9 m -101.17 179.81 4.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 108.33 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.448 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -129.63 135.28 48.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.373 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.478 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 0.4 OUTLIER -105.74 121.07 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.19 177.92 31.73 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 95.1 m -80.73 146.17 31.17 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -134.5 -178.57 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 44' ' ' ARG . 66.8 m -91.13 125.16 35.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 108.343 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.47 ' HG2' ' CG1' ' A' ' 8' ' ' VAL . 41.9 mt-30 -56.87 166.93 0.87 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.593 1.183 . . . . 0.0 110.251 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -63.97 103.11 0.55 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.86 2.01 7.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 37.9 m-85 -130.95 153.81 48.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 0.784 . . . . 0.0 111.056 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.518 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 66.8 mt -131.51 139.41 49.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.386 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.451 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 3.3 ttm180 -78.7 131.66 36.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 18.2 p-10 -99.4 150.51 22.09 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.602 1.189 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -33.86 -32.06 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.588 1.18 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' ' 45' ' ' ASN . 1.0 OUTLIER -83.44 35.63 0.51 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.451 0.736 . . . . 0.0 110.353 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 36.81 37.43 0.23 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.515 1.134 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.54 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -114.83 123.44 49.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.1 m -79.8 97.3 6.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 108.266 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 m -117.58 145.3 23.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.241 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.06 156.77 1.64 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.518 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.04 -30.4 7.14 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.517 1.799 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -75.11 -6.42 49.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.385 1.053 . . . . 0.0 110.362 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -111.54 1.13 16.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.914 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.52 -164.37 38.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.6 Cg_endo -74.92 131.18 14.09 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.771 . . . . 0.0 111.047 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.548 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.0 m-20 83.54 1.18 1.04 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -109.01 160.22 16.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.157 . . . . 0.0 110.243 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.48 ' CG2' ' HG3' ' A' ' 37' ' ' GLN . 15.7 m -138.41 178.61 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 2.0 t80 -124.61 130.99 53.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.408 ' O ' ' HA ' ' A' ' 34' ' ' ILE . 1.1 m-80 -125.3 120.73 32.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.49 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -82.72 -9.21 59.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 110.431 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.482 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 1.4 t -159.65 74.74 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 108.297 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 14' ' ' SER . . . -116.85 171.92 14.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.541 1.15 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.446 ' C ' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -38.75 106.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 0.78 . . . . 0.0 110.011 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.475 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -40.94 -29.7 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.446 ' N ' ' C ' ' A' ' 14' ' ' SER . 1.6 m -135.18 58.47 1.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.092 . . . . 0.0 108.239 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.93 167.55 0.21 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.491 ' O ' ' CG2' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.11 162.78 36.3 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 18' ' ' PRO . 23.9 p -157.09 -172.77 4.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.367 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.3 -21.8 60.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.322 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.01 -51.74 5.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -115.06 93.25 34.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.331 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.96 8.28 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.54 1.811 . . . . 0.0 110.99 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 25' ' ' THR . 3.7 pttt -126.72 113.4 16.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 24' ' ' LYS . 4.1 m -38.34 150.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 110.431 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -160.2 95.23 1.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.076 . . . . 0.0 110.322 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 26' ' ' ARG . 2.6 mp -40.52 159.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.225 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.06 -43.32 2.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 108.213 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.5 t -161.95 -174.78 4.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.459 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.38 82.39 8.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.959 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 172.23 161.38 0.11 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 110.244 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.482 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 3.4 m -94.99 176.33 6.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 108.307 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.475 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -129.58 132.77 46.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.49 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 1.3 mt -100.2 120.45 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.18 166.08 24.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.438 1.086 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 73.3 m -74.76 138.89 42.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.48 ' HG3' ' CG2' ' A' ' 8' ' ' VAL . 11.9 pt20 -121.15 -179.39 4.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.413 ' SG ' ' C ' ' A' ' 43' ' ' LEU . 63.3 m -97.34 128.4 44.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 108.214 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.48 ' NE2' ' CG1' ' A' ' 8' ' ' VAL . 3.8 mm-40 -60.91 173.42 0.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.91 102.28 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.385 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.56 -1.19 8.08 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 16.0 m-85 -129.24 153.0 48.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 14.3 mt -129.62 150.21 51.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -85.56 132.79 34.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.565 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 29.0 p-10 -109.1 146.55 33.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 109.209 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.46 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -36.47 -28.33 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.559 1.162 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 45' ' ' ASN . 1.3 tt0 -79.03 31.82 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 0.803 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 39.0 34.29 0.29 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.565 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -116.03 160.59 20.08 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.4 m -110.06 97.51 6.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.41 1.069 . . . . 0.0 108.258 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.5 m -115.22 144.02 23.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mt -49.51 156.5 1.12 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.472 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.0 Cg_endo -75.01 -29.91 7.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -75.28 -7.02 52.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.46 -0.67 17.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.8 m . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.46 -173.35 35.32 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.485 1.116 . . . . 0.0 111.07 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.518 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.3 Cg_endo -74.97 126.42 9.97 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.447 1.762 . . . . 0.0 110.968 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.562 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.3 m-20 83.11 2.98 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' A' ' 5' ' ' PRO . 1.0 OUTLIER -107.48 163.81 12.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.476 ' CG1' ' HG2' ' A' ' 39' ' ' GLN . 3.6 m -142.85 177.14 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.496 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.5 t80 -129.14 136.32 50.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.593 1.183 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.436 ' OD1' ' NE2' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -135.99 131.82 35.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.477 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.2 p -82.28 -13.64 56.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.595 1.184 . . . . 0.0 110.355 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.488 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -148.14 79.8 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 108.286 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.59 169.31 12.82 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -50.34 107.74 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 0.754 . . . . 0.0 110.037 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.439 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -41.41 -31.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' N ' ' C ' ' A' ' 14' ' ' SER . 1.7 m -133.14 57.87 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 108.259 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.37 168.72 0.25 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.384 1.052 . . . . 0.0 109.204 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 159.19 41.88 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.427 1.751 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.6 p -151.66 -166.12 2.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 110.357 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -20.44 66.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.432 1.082 . . . . 0.0 108.288 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.41 -51.12 5.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -116.17 93.61 39.5 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.358 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.86 1.53 7.56 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.475 1.777 . . . . 0.0 111.03 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' THR . 5.4 mtmm -125.75 116.96 22.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 24' ' ' LYS . 2.5 m -36.73 153.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -161.7 92.01 0.85 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 110.371 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' ARG . 2.1 mp -41.31 161.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -128.51 -45.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 108.284 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.8 t -159.46 163.22 35.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.371 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.478 ' O ' ' CB ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -69.39 90.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 111.081 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 30' ' ' MET . 0.6 OUTLIER 161.85 133.75 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.445 1.091 . . . . 0.0 110.41 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.488 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 4.1 m -68.74 179.07 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 108.379 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.439 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -132.03 132.25 43.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.18 . . . . 0.0 110.262 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.477 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -97.61 118.25 43.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.79 175.78 38.49 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.63 1.206 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.496 ' SG ' ' CD2' ' A' ' 9' ' ' PHE . 99.6 m -85.32 141.92 29.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.436 ' NE2' ' OD1' ' A' ' 10' ' ' ASN . 3.7 pt20 -125.68 -174.77 3.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.392 1.057 . . . . 0.0 110.338 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 66.2 m -95.95 132.38 41.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 108.255 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.476 ' HG2' ' CG1' ' A' ' 8' ' ' VAL . 70.1 mt-30 -65.68 168.28 7.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.278 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.93 102.76 0.38 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.086 . . . . 0.0 110.19 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.83 1.37 8.19 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 28.4 m-85 -131.2 153.65 49.23 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.55 0.794 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.484 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 21.2 mt -130.0 148.06 51.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.09 135.36 34.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.35 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.555 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 26.1 p-10 -111.8 146.19 38.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.451 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.47 -29.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.2 OUTLIER -79.04 33.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.791 . . . . 0.0 110.349 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 37.53 34.11 0.14 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.401 1.063 . . . . 0.0 111.055 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.555 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.55 161.15 19.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.783 . . . . 0.0 109.28 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 m -110.04 98.94 8.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.623 1.202 . . . . 0.0 108.3 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.3 m -114.22 142.8 25.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.172 . . . . 0.0 109.248 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.48 156.71 1.43 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.413 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.484 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.08 -29.98 7.53 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 110.953 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -75.53 -6.12 48.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.03 0.24 16.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.857 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 9' ' ' PHE . 10.7 m . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.445 ' N ' ' OE1' ' A' ' 7' ' ' GLU . . . -53.5 -169.92 0.03 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.601 1.188 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.5 Cg_endo -74.95 125.94 9.68 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.491 1.785 . . . . 0.0 111.062 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.579 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 8.4 m-20 82.44 1.76 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 4' ' ' GLY . 15.8 mt-10 -102.97 157.16 17.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.086 . . . . 0.0 110.321 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.519 ' CG1' ' CG ' ' A' ' 39' ' ' GLN . 7.5 m -146.04 146.33 19.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.409 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 2.9 t80 -92.31 124.58 36.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 111.031 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 34' ' ' ILE . 0.4 OUTLIER -120.83 121.15 37.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.48 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.1 p -75.98 -20.09 58.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.415 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.494 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -146.28 79.67 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 108.233 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.62 173.94 17.42 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.46 ' OG ' ' CB ' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -59.53 105.19 0.33 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 0.738 . . . . 0.0 109.948 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.02 -29.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.45 ' N ' ' C ' ' A' ' 14' ' ' SER . 22.1 m -131.99 58.14 1.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 108.265 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.46 ' CB ' ' OG ' ' A' ' 14' ' ' SER . . . -61.7 169.38 2.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.183 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.488 ' O ' ' CG2' ' A' ' 19' ' ' THR . 18.7 Cg_endo -74.89 161.54 38.86 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.394 1.734 . . . . 0.0 111.072 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 18' ' ' PRO . 7.7 p -158.21 -176.15 5.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.412 ' N ' ' HB3' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -55.37 -28.44 53.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 108.254 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.25 -50.07 9.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -115.82 90.88 28.65 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.59 1.181 . . . . 0.0 110.308 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.16 1.37 7.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.468 1.773 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.11 114.18 19.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.589 1.181 . . . . 0.0 109.245 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.7 m -41.49 153.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.28 86.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.415 HD12 ' N ' ' A' ' 27' ' ' ILE . 5.3 mm -44.08 159.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 O-C-N 124.544 1.153 . . . . 0.0 109.259 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -114.02 -36.74 4.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 108.274 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.3 t -175.31 -162.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.428 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -91.87 92.25 8.27 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.472 1.108 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 171.91 168.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.209 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.494 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 3.2 m -119.06 172.61 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 108.293 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.455 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -131.24 130.02 42.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.376 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.48 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 1.0 OUTLIER -94.13 119.44 42.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.22 167.94 26.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 78.7 m -71.36 146.09 49.0 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -137.19 -176.92 4.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.415 1.072 . . . . 0.0 110.263 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 89.0 m -96.15 129.51 43.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.602 1.189 . . . . 0.0 108.314 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.519 ' CG ' ' CG1' ' A' ' 8' ' ' VAL . 37.9 mt-30 -68.26 172.37 5.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.582 1.176 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -64.98 104.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 110.343 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.07 -2.63 7.86 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.562 1.164 . . . . 0.0 111.058 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 19.4 m-85 -128.8 153.72 47.13 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.509 0.77 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 17.8 mt -128.7 147.77 50.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.593 1.183 . . . . 0.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.441 ' HB3' ' CG2' ' A' ' 19' ' ' THR . 14.5 ttt180 -85.48 132.26 34.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.428 1.08 . . . . 0.0 110.249 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.559 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 26.3 p-10 -107.79 146.39 32.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.449 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.45 -29.3 0.01 OUTLIER Glycine 0 CA--C 1.528 0.879 0 O-C-N 124.486 1.117 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.3 OUTLIER -79.15 32.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 0.713 . . . . 0.0 110.313 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 38.23 34.2 0.21 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.559 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -114.42 157.82 22.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 0.73 . . . . 0.0 109.264 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 m -107.71 98.05 7.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 108.296 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.7 m -115.49 142.08 30.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.02 157.01 1.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.606 1.191 . . . . 0.0 109.325 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.481 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.08 -29.52 8.01 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -75.4 -6.92 52.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 110.258 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.52 0.16 17.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.919 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.06 -171.61 26.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.594 1.184 . . . . 0.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.96 127.59 10.84 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.431 1.753 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.57 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 7.2 m-20 81.62 2.3 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -105.77 160.05 15.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.162 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 36' ' ' CYS . 1.7 m -139.46 177.14 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.174 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.439 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.5 t80 -129.27 134.34 47.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -133.96 133.88 41.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.464 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.2 p -85.79 -0.83 56.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 110.363 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.491 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -161.28 78.57 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 108.29 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.01 166.25 13.55 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.366 1.041 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.02 106.75 0.18 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.433 0.725 . . . . 0.0 109.974 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.468 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -52.57 -31.26 35.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.133 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.1 m -116.53 41.43 2.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 108.314 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.61 171.07 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.244 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.456 ' O ' ' CG2' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.06 164.46 33.21 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.41 1.742 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.456 ' CG2' ' O ' ' A' ' 18' ' ' PRO . 17.1 p -156.24 -173.63 4.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.423 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -23.53 65.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 108.379 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.81 -39.69 19.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.402 1.064 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -129.74 92.03 38.62 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.12 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.467 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 18.1 Cg_endo -75.04 60.18 5.4 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.548 1.815 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 23' ' ' PRO . 0.0 OUTLIER 179.29 143.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.844 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.0 m -65.99 162.89 18.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 110.448 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -175.3 80.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.626 1.204 . . . . 0.0 110.339 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.411 ' O ' ' O ' ' A' ' 26' ' ' ARG . 1.9 mp -39.02 157.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 m -121.86 -43.5 2.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 0.0 108.287 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -151.27 165.76 33.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.399 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 ptm -75.37 55.26 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.067 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -156.5 124.85 5.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.357 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.491 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 3.9 m -64.89 178.96 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.229 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.468 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -132.68 129.87 39.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 1.083 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.464 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 1.8 mt -94.98 118.44 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.3 177.59 38.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.128 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.44 ' O ' ' NH2' ' A' ' 33' ' ' ARG . 74.1 m -83.73 147.93 27.36 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -134.17 -177.29 4.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.384 1.053 . . . . 0.0 110.279 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 86.4 m -93.41 128.33 39.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 108.268 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.448 ' HB2' ' CD2' ' A' ' 42' ' ' PHE . 62.8 mt-30 -63.13 169.12 3.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -63.62 103.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.283 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.6 2.06 8.19 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 26.2 m-85 -132.18 154.93 49.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 0.767 . . . . 0.0 111.081 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.486 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 37.0 mt -130.83 152.68 49.9 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.585 1.178 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 5.8 ttp85 -84.94 136.83 33.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.532 ' O ' ' N ' ' A' ' 47' ' ' GLU . 27.8 p-10 -112.42 146.41 38.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -36.04 -28.76 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.575 1.172 . . . . 0.0 111.064 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -79.15 32.94 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 0.754 . . . . 0.0 110.297 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.454 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.04 34.35 0.2 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 111.052 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.528 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -116.74 163.92 15.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 0.736 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.79 101.11 9.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 108.309 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.6 m -116.24 144.48 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.54 156.17 2.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.486 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.05 -29.99 7.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -75.4 -6.48 50.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.579 ' O ' ' O ' ' A' ' 56' ' ' CYS . 0.9 OUTLIER -110.91 -0.87 16.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.579 ' O ' ' O ' ' A' ' 55' ' ' ASN . 1.8 t . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' GLY . 60.7 m . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 3' ' ' CYS . . . -48.14 178.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.123 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.5 Cg_endo -74.99 126.65 10.11 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.532 1.806 . . . . 0.0 111.061 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.566 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 6.9 m-20 82.84 3.33 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.414 1.072 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -107.19 161.81 14.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.27 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.48 ' CG1' ' HG2' ' A' ' 39' ' ' GLN . 6.6 m -141.45 177.14 3.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.421 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.6 t80 -124.26 132.96 53.61 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -132.11 131.96 42.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.478 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.0 OUTLIER -81.87 -11.84 58.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.415 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.502 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 1.8 t -148.41 73.91 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.6 1.188 . . . . 0.0 108.241 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.49 -178.81 22.43 Favored Glycine 0 CA--C 1.528 0.867 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.8 114.81 15.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.394 0.703 . . . . 0.0 110.017 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.45 -27.0 62.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 17' ' ' ALA . 1.6 m -119.18 40.74 3.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 108.272 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 16' ' ' CYS . . . -45.03 168.4 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 161.02 39.26 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.1 p -152.85 -179.82 7.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.419 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -20.17 15.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 108.38 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.01 -48.25 6.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.158 . . . . 0.0 109.283 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -116.37 88.79 24.58 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 110.324 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 1.32 7.89 Favored 'Trans proline' 0 C--N 1.362 1.24 0 O-C-N 124.455 1.766 . . . . 0.0 111.045 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -120.74 114.01 21.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.3 m -42.18 162.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.78 99.06 0.18 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.564 1.165 . . . . 0.0 110.42 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 28' ' ' CYS . 0.5 OUTLIER -47.0 150.66 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.462 ' N ' HG13 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -116.36 -36.37 4.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 108.252 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.1 t -156.27 -179.96 8.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.62 1.2 . . . . 0.0 110.363 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.18 41.36 1.0 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -145.05 141.66 29.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.591 1.182 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.502 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 3.9 m -76.46 -177.04 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 108.366 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.497 ' C ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -135.65 122.93 21.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.478 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 0.3 OUTLIER -91.82 116.11 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.61 178.17 37.8 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 86.0 m -81.72 150.55 27.92 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -139.59 -177.64 5.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 61.3 m -90.76 123.27 34.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.307 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.503 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 72.9 mt-30 -49.88 166.47 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.327 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -66.93 101.68 0.87 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 110.28 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.96 1.71 6.78 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.436 1.085 . . . . 0.0 110.954 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 6' ' ' ASN . 46.2 m-85 -125.8 154.43 42.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.525 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 47.9 mt -129.88 138.52 50.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 0.0 109.311 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -78.6 129.07 34.37 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.44 1.088 . . . . 0.0 110.355 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' GLY . 21.0 p-10 -96.0 151.07 19.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -34.37 -31.67 0.02 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.476 1.11 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' ASN . 1.0 OUTLIER -83.79 34.65 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 110.313 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 37.74 38.55 0.49 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.536 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.16 122.06 44.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.3 m -78.67 95.77 5.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 108.263 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.5 m -117.31 145.08 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.3 157.1 2.49 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.525 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.1 Cg_endo -75.04 -29.64 7.94 Favored 'Trans proline' 0 C--N 1.361 1.233 0 O-C-N 124.506 1.793 . . . . 0.0 110.982 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -75.21 -6.65 50.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.255 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.54 0.92 16.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.919 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.0 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.84 -174.4 1.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.555 1.159 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.7 Cg_endo -74.94 125.85 9.62 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.413 1.744 . . . . 0.0 111.074 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.566 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 5.9 m-20 82.31 3.35 1.21 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.158 . . . . 0.0 109.353 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -104.16 164.44 11.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.255 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.476 HG11 ' CG ' ' A' ' 39' ' ' GLN . 4.8 m -143.98 179.54 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.43 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.6 t80 -129.85 136.02 49.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.458 ' OD1' ' NE2' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -134.06 134.31 42.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.389 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.489 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.0 OUTLIER -85.13 -7.25 59.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.392 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.481 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -154.13 81.87 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 108.298 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.38 -178.22 20.78 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.115 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.02 107.59 8.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 0.798 . . . . 0.0 110.028 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.9 -23.23 2.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.419 ' N ' ' HB2' ' A' ' 28' ' ' CYS . 0.8 OUTLIER -128.66 47.02 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 108.254 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.1 168.43 6.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.435 ' CB ' ' HA ' ' A' ' 23' ' ' PRO . 18.2 Cg_endo -75.03 154.89 42.67 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.527 1.804 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.0 p -153.46 -179.67 7.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.365 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -23.52 67.44 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.453 1.095 . . . . 0.0 108.328 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.98 -58.78 3.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -137.34 90.68 15.0 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.435 ' HA ' ' CB ' ' A' ' 18' ' ' PRO . 18.0 Cg_endo -75.03 60.81 5.56 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.539 1.81 . . . . 0.0 110.923 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.05 122.27 15.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 m -97.27 141.46 30.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.379 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -175.49 41.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.584 1.178 . . . . 0.0 110.271 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' A' ' 26' ' ' ARG . 3.2 mp 53.97 169.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.408 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.419 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -132.51 -47.13 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 108.319 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.9 p -140.11 -167.46 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.424 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.9 mtt -92.11 55.73 2.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 110.967 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 176.77 167.16 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 110.262 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.481 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 8.7 m -86.15 174.68 8.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.392 1.057 . . . . 0.0 108.291 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.478 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -124.49 125.47 44.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.38 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.489 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -92.33 121.2 42.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.78 176.78 38.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 57.7 m -83.91 142.52 30.49 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.458 ' NE2' ' OD1' ' A' ' 10' ' ' ASN . 3.4 pt20 -127.0 -171.3 2.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 44' ' ' ARG . 63.8 m -102.61 132.2 48.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 108.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.476 ' CG ' HG11 ' A' ' 8' ' ' VAL . 11.6 mt-30 -64.35 171.34 3.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -64.08 111.04 2.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.412 1.07 . . . . 0.0 110.322 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.76 -2.77 21.45 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 42.9 m-85 -125.12 157.28 36.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.49 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 12.1 mt -130.87 153.7 48.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.374 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.46 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -85.11 115.24 22.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.629 1.206 . . . . 0.0 110.313 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.469 ' C ' ' H ' ' A' ' 47' ' ' GLU . 1.4 p-10 -92.67 135.24 34.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.08 . . . . 0.0 109.401 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -54.91 -7.55 1.08 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.469 ' H ' ' C ' ' A' ' 45' ' ' ASN . 3.1 tt0 -73.87 -0.9 17.41 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.511 0.771 . . . . 0.0 110.417 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.25 35.91 16.31 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.414 1.072 . . . . 0.0 111.002 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.462 ' CB ' HD22 ' A' ' 45' ' ' ASN . . . -154.0 -176.92 6.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.6 m -120.29 117.3 27.45 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 108.249 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 45' ' ' ASN . 29.5 m -125.21 143.36 39.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mp -50.65 156.76 1.47 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.49 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.96 -29.25 8.5 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.555 1.818 . . . . 0.0 111.037 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.69 -7.48 54.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -109.77 -0.88 18.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.259 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.449 -0.504 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.4 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.71 -174.27 42.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.492 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.1 Cg_endo -75.08 125.69 9.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.597 1.84 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.577 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 5.4 m-20 83.21 2.29 1.03 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -101.13 160.94 13.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.469 HG11 ' CG ' ' A' ' 39' ' ' GLN . 5.9 m -146.48 153.85 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.429 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.441 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.0 OUTLIER -108.46 129.33 55.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.418 ' OD1' ' CD ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -131.61 134.78 46.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.495 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.3 p -81.61 -4.24 55.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.465 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.486 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.6 OUTLIER -157.47 80.6 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 108.265 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.6 172.77 14.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.115 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.8 p -58.49 107.91 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 109.951 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.486 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -52.45 -33.03 42.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.227 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m -117.54 45.82 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.292 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -46.0 169.74 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 154.84 42.61 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.544 1.813 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.5 p -144.67 177.31 8.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -23.6 49.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 108.284 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.19 -46.65 9.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.386 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -118.19 86.57 27.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 1.97 7.17 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.532 1.806 . . . . 0.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.94 112.1 19.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 m -39.15 155.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.53 92.26 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.593 1.183 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 mp -43.71 158.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -124.07 -44.73 2.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 108.318 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.2 p -135.61 -173.94 3.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.389 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.0 mtp -99.3 35.77 1.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 111.053 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.87 157.45 44.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.486 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 3.8 m -82.02 178.55 8.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 108.263 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.491 ' C ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -132.86 123.98 27.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.495 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -88.73 117.85 32.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.79 179.41 38.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.429 1.08 . . . . 0.0 110.962 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.441 ' SG ' ' CD2' ' A' ' 9' ' ' PHE . 72.3 m -86.15 145.22 27.11 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.418 ' CD ' ' OD1' ' A' ' 10' ' ' ASN . 14.8 pt20 -134.93 -175.63 3.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.1 m -93.61 128.38 39.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 108.329 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.469 ' CG ' HG11 ' A' ' 8' ' ' VAL . 23.9 mt-30 -61.36 168.42 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.09 103.26 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.56 0.23 7.31 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 43.8 m-85 -127.98 154.17 45.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.801 . . . . 0.0 111.046 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.503 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 44.2 mt -130.57 136.36 48.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.153 . . . . 0.0 109.243 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -77.82 128.4 33.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.552 ' O ' ' N ' ' A' ' 48' ' ' GLY . 23.9 p-10 -93.01 152.43 19.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -33.86 -32.45 0.02 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.547 1.155 . . . . 0.0 110.977 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 45' ' ' ASN . 2.0 tp10 -85.21 36.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 37.47 38.17 0.4 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.487 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -111.8 117.96 34.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 54.2 m -75.74 95.37 3.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 108.366 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.6 m -117.99 145.5 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 mp -52.97 157.1 3.01 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.366 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.503 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.03 -29.18 8.46 Favored 'Trans proline' 0 C--N 1.358 1.065 0 O-C-N 124.571 1.827 . . . . 0.0 111.06 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -75.26 -7.25 53.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.84 0.23 17.14 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.4 m . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.26 179.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.518 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.4 Cg_endo -75.02 125.59 9.41 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.551 1.816 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 6.1 m-20 82.87 4.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -94.41 160.38 14.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.536 ' CG1' ' CG ' ' A' ' 39' ' ' GLN . 2.8 m -146.75 135.95 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.503 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.2 t80 -94.14 131.63 39.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.103 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.422 ' OD1' ' CD ' ' A' ' 37' ' ' GLN . 8.5 m120 -130.77 131.44 44.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.557 1.16 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.488 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -86.26 12.43 9.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.481 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 1.0 OUTLIER -178.35 76.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 108.297 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -115.55 172.89 14.44 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.451 ' OG ' ' CB ' ' A' ' 17' ' ' ALA . 1.3 p -41.2 106.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 0.751 . . . . 0.0 109.953 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.459 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -40.47 -33.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 m -132.64 57.08 1.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 108.277 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.451 ' CB ' ' OG ' ' A' ' 14' ' ' SER . . . -46.19 167.68 0.13 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.388 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 159.55 40.96 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.51 1.795 . . . . 0.0 110.992 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.5 p -151.48 -167.72 2.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.167 . . . . 0.0 110.346 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.47 -20.71 61.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.135 . . . . 0.0 108.3 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.22 -37.11 16.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.436 1.085 . . . . 0.0 109.193 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -130.73 86.41 52.66 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 61.37 5.68 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.607 1.846 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.34 143.02 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.375 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.7 m -63.35 151.14 41.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.432 1.082 . . . . 0.0 110.484 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.37 84.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.263 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.0 mm -41.05 159.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -113.1 -33.92 5.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 108.278 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.8 t -174.07 163.12 3.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.394 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.438 ' O ' ' CB ' ' A' ' 31' ' ' GLN . 7.4 ttp -58.27 92.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.438 ' CB ' ' O ' ' A' ' 30' ' ' MET . 3.9 mt-30 164.7 165.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.481 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 3.5 m -104.09 176.1 5.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 108.349 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.459 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -132.44 116.97 17.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.229 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.488 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 0.9 OUTLIER -83.94 122.71 38.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.24 173.9 31.48 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.554 1.159 . . . . 0.0 111.056 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.503 ' SG ' ' CD2' ' A' ' 9' ' ' PHE . 63.6 m -84.99 140.54 30.98 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.422 ' CD ' ' OD1' ' A' ' 10' ' ' ASN . 4.1 pt20 -128.23 -173.42 2.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.375 1.047 . . . . 0.0 110.262 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 43' ' ' LEU . 92.5 m -98.65 131.61 44.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 108.302 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.536 ' CG ' ' CG1' ' A' ' 8' ' ' VAL . 28.7 mt-30 -69.85 172.01 8.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.672 1.232 . . . . 0.0 110.297 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -63.15 102.89 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.336 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.91 4.31 7.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 6' ' ' ASN . 10.3 m-85 -137.35 150.56 47.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 0.727 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.402 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 11.7 mt -128.45 149.89 50.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.367 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 38.7 ttp180 -85.12 133.89 34.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.559 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 26.4 p-10 -110.15 146.35 35.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.452 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.56 -29.29 0.02 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.497 1.123 . . . . 0.0 111.073 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 45' ' ' ASN . 2.0 tt0 -78.9 32.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 0.741 . . . . 0.0 110.374 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.36 34.41 0.23 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.555 1.16 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.559 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.95 159.07 22.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.81 97.26 6.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 108.308 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.6 m -111.3 142.66 23.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.086 . . . . 0.0 109.234 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.59 156.43 0.85 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.363 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -30.19 7.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.442 1.759 . . . . 0.0 111.045 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -75.51 -6.78 51.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.417 1.073 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.31 0.4 18.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.869 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.8 -172.62 42.44 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.556 1.16 . . . . 0.0 111.083 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.1 Cg_endo -75.01 126.06 9.71 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.624 1.855 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.587 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 7.8 m-20 82.21 3.45 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -106.6 158.02 17.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.465 HG11 ' CG ' ' A' ' 39' ' ' GLN . 16.3 m -142.15 163.53 18.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.418 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.9 t80 -114.44 129.38 56.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.96 137.85 52.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.473 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -86.29 -13.13 47.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.446 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.49 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -150.18 80.07 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 108.37 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.47 173.24 17.63 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.588 1.18 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.36 102.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 110.04 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.66 -30.59 0.64 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.7 m -127.47 56.56 1.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 108.274 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.95 168.3 4.82 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 161.24 38.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.792 . . . . 0.0 111.066 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.1 p -153.82 -179.39 7.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.422 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -24.6 42.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 108.314 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.26 -47.67 8.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -116.73 88.66 25.92 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 1.96 7.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 111.052 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -120.75 113.39 20.11 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 109.317 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 m -48.55 154.66 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.382 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.46 92.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.328 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.9 mp -40.98 160.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -123.65 -44.02 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 108.298 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 31' ' ' GLN . 15.0 t -171.54 169.76 5.99 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.461 1.101 . . . . 0.0 110.355 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.443 ' O ' ' CG ' ' A' ' 30' ' ' MET . 3.0 ptp -68.95 63.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 111.061 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 29' ' ' THR . 6.5 mm-40 -153.18 164.95 37.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.113 . . . . 0.0 110.372 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.49 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 3.7 m -120.39 174.39 6.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 108.329 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.53 131.9 45.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.473 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -95.99 120.0 44.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.59 177.69 35.81 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.115 . . . . 0.0 110.95 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 77.1 m -81.71 150.22 28.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -141.32 -178.06 5.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 110.242 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 87.4 m -91.82 133.7 35.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.094 . . . . 0.0 108.26 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.465 ' CG ' HG11 ' A' ' 8' ' ' VAL . 39.4 mt-30 -69.92 175.69 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.253 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -67.46 102.74 1.17 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.503 1.127 . . . . 0.0 110.235 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.83 -3.45 8.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.423 1.077 . . . . 0.0 111.019 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.587 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 13.2 m-85 -127.3 151.52 48.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 0.734 . . . . 0.0 110.977 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 16.4 mt -128.41 150.42 50.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 2.6 tmm_? -84.62 135.01 34.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.337 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.558 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 26.4 p-10 -111.67 146.03 38.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.446 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.8 -29.24 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.416 1.072 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -78.96 33.38 0.22 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.453 0.737 . . . . 0.0 110.355 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.446 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 37.78 34.36 0.17 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.558 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.52 163.42 15.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.382 0.695 . . . . 0.0 109.239 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -111.92 97.69 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 108.428 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.7 m -113.95 142.37 26.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mp -50.61 156.98 1.38 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.634 1.209 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.477 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.1 Cg_endo -75.07 -29.84 7.7 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.594 1.839 . . . . 0.0 110.962 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.21 -7.14 53.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.08 0.02 18.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.06 -170.21 44.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.136 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.96 128.93 11.91 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.503 1.791 . . . . 0.0 110.959 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.573 ' HB3' ' CD2' ' A' ' 42' ' ' PHE . 3.0 m120 82.93 0.81 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -101.58 155.23 18.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.475 HG11 ' CG ' ' A' ' 39' ' ' GLN . 19.6 m -149.28 140.47 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.517 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 2.1 t80 -89.33 127.62 35.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.444 ' ND2' ' CD ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -128.93 129.03 44.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.374 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.46 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.0 OUTLIER -76.86 -5.63 49.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 -179.896 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.516 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 1.9 t -151.91 73.44 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 108.389 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.48 -155.55 24.42 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.532 1.145 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.22 111.06 22.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 0.728 . . . . 0.0 109.98 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.488 ' CA ' ' HB2' ' A' ' 33' ' ' ARG . . . -56.95 -31.45 65.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.37 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -115.37 38.31 3.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 108.29 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.72 169.92 0.23 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.591 1.182 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.486 ' O ' ' CG2' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.02 168.37 24.98 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 110.977 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.486 ' CG2' ' O ' ' A' ' 18' ' ' PRO . 19.2 p -157.45 177.66 11.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 110.418 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.405 ' N ' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -58.23 -19.82 36.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.287 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.22 -44.67 8.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -115.42 88.9 20.17 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.322 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 1.43 7.69 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.9 114.97 22.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.601 1.188 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.5 m -42.17 163.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.462 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 27' ' ' ILE . 6.9 tpm_? -168.02 81.1 0.18 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.514 1.134 . . . . 0.0 110.396 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 26' ' ' ARG . 4.1 mm -37.6 154.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.411 ' N ' HG21 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -112.51 -33.8 6.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 108.317 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.4 t -166.28 -163.52 0.61 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.49 1.119 . . . . 0.0 110.35 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.27 42.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.068 . . . . 0.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -143.31 140.59 30.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.516 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 11.1 m -71.49 -179.42 2.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 108.305 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.488 ' HB2' ' CA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -128.42 118.63 23.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.095 . . . . 0.0 110.275 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.46 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 1.4 mt -90.64 118.17 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.68 174.92 26.1 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.549 1.156 . . . . 0.0 111.05 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 86.2 m -76.6 140.64 41.11 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.444 ' CD ' ' ND2' ' A' ' 10' ' ' ASN . 14.6 pt20 -134.47 -169.65 2.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.0 m -99.33 121.95 41.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 108.284 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.56 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 42.6 mt-30 -50.78 165.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -66.7 101.27 0.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.95 2.07 7.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 6' ' ' ASN . 41.2 m-85 -125.85 154.62 42.42 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.516 0.774 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.52 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 54.2 mt -129.98 140.53 50.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.563 1.164 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.26 134.44 39.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.294 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.563 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 18.9 p-10 -107.34 146.97 30.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -34.28 -30.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 45' ' ' ASN . 1.6 tt0 -80.63 34.21 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 110.294 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 36.68 36.64 0.17 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.37 1.044 . . . . 0.0 111.005 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.563 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -120.44 130.27 54.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.765 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.5 m -84.74 101.2 12.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 108.253 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.4 m -118.47 145.98 23.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.46 156.82 2.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.52 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.6 Cg_endo -74.96 -29.79 7.92 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.42 1.748 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.01 -6.85 51.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.39 0.12 16.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.45 -0.459 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 1' ' ' GLU . 1.8 pt-20 . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -111.02 41.56 1.8 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -62.67 -164.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.568 1.167 . . . . 0.0 108.278 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' N ' ' OE1' ' A' ' 7' ' ' GLU . . . -107.29 -169.84 22.12 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.459 1.1 . . . . 0.0 111.041 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.98 127.88 11.05 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 7.1 m-20 83.32 1.89 1.03 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.612 1.195 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 4' ' ' GLY . 19.1 mt-10 -103.03 156.74 17.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.436 ' CG1' ' CG ' ' A' ' 39' ' ' GLN . 21.9 m -143.2 150.36 17.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.448 1.092 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.442 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.5 t80 -102.42 127.57 49.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.405 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 7.1 m-80 -128.63 133.68 48.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.482 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.2 p -83.81 4.22 30.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.48 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.6 OUTLIER -166.61 80.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 108.276 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -124.6 162.48 18.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.107 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.04 107.38 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.43 0.724 . . . . 0.0 109.994 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.454 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -59.85 -34.92 73.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.6 32.67 4.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 108.255 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.0 161.17 0.16 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.48 ' CD ' ' HB ' ' A' ' 25' ' ' THR . 18.2 Cg_endo -75.0 163.06 36.1 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.406 ' CG2' ' C ' ' A' ' 18' ' ' PRO . 44.2 p -150.73 -170.09 3.56 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.424 1.077 . . . . 0.0 110.381 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -22.08 65.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.371 1.044 . . . . 0.0 108.242 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.25 -52.82 5.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -113.84 95.8 38.88 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 1.15 8.06 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.483 1.781 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.54 113.72 16.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.48 ' HB ' ' CD ' ' A' ' 18' ' ' PRO . 15.3 t -97.83 174.35 6.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.184 . . . . 0.0 110.489 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -175.49 46.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.393 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.403 ' O ' ' O ' ' A' ' 26' ' ' ARG . 1.3 mp 58.11 160.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.08 -33.3 6.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 108.305 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.444 ' HG1' ' N ' ' A' ' 30' ' ' MET . 1.3 t -179.4 174.25 1.02 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.448 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.444 ' N ' ' HG1' ' A' ' 29' ' ' THR . 0.8 OUTLIER -68.55 71.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 174.67 112.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.433 1.083 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.48 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 5.4 m -54.45 178.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 108.291 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.454 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -128.86 127.18 41.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.482 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 2.3 mt -93.4 118.21 38.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.81 179.86 36.74 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 86.9 m -82.16 149.96 27.67 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.405 ' NE2' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -141.1 177.72 7.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 44' ' ' ARG . 58.0 m -90.54 130.6 36.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 108.284 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.436 ' CG ' ' CG1' ' A' ' 8' ' ' VAL . 47.8 mt-30 -67.59 169.52 9.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.57 103.9 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.4 3.28 8.01 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.465 1.103 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 6' ' ' ASN . 28.3 m-85 -132.71 151.55 51.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.523 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 73.0 mt -128.3 140.11 52.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.366 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.402 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 4.0 ttm180 -80.5 130.51 35.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.533 ' O ' ' N ' ' A' ' 47' ' ' GLU . 14.0 p-10 -99.92 149.9 22.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -33.98 -32.12 0.02 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.548 1.155 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 45' ' ' ASN . 2.2 tt0 -83.37 35.89 0.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.559 0.799 . . . . 0.0 110.322 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 36.74 37.04 0.19 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.542 1.151 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.51 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -114.36 123.74 50.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.8 m -80.95 95.18 6.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 108.317 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.1 m -113.64 144.12 21.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.19 156.67 0.96 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.523 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.07 -30.26 7.26 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.456 1.766 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.47 -6.13 48.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.22 0.72 16.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.813 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -115.56 41.94 2.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.559 1.162 . . . . 0.0 110.239 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.9 m -102.46 -166.65 1.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.612 1.195 . . . . 0.0 108.266 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.64 -173.17 41.28 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.507 1.129 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.3 Cg_endo -74.96 127.44 10.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.576 1.829 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.566 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 8.1 m-20 83.34 2.07 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -106.26 164.23 12.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.467 HG11 ' CG ' ' A' ' 39' ' ' GLN . 3.1 m -142.64 179.31 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.44 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.6 t80 -130.5 135.03 47.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.945 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.431 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -131.44 129.3 41.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.61 1.194 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.478 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.2 p -82.04 -9.81 59.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.456 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.502 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 2.1 t -149.95 73.45 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 108.236 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.52 -164.05 22.61 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.45 1.094 . . . . 0.0 111.013 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.56 121.31 37.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 0.0 110.025 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.86 -21.93 63.74 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 109.269 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.0 m -119.01 38.1 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 108.273 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -44.53 164.01 0.18 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.208 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.431 ' CA ' ' O ' ' A' ' 22' ' ' GLN . 18.5 Cg_endo -75.07 150.9 38.54 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.592 1.838 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.8 p -137.48 -166.99 2.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 110.45 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -28.76 67.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 108.285 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.23 -65.34 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.371 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.431 ' O ' ' CA ' ' A' ' 18' ' ' PRO . 5.6 mt-30 -110.26 98.91 37.87 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 2.21 6.91 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.99 115.96 20.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.4 m -40.99 161.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.369 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -152.6 39.65 0.56 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.567 1.167 . . . . 0.0 110.361 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' A' ' 26' ' ' ARG . 4.0 mp 54.32 167.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.24 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.423 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 0.5 OUTLIER -147.1 -47.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 108.378 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.6 t -174.41 -171.75 0.61 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.453 ' O ' ' CB ' ' A' ' 31' ' ' GLN . 1.8 mtt -88.41 78.82 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.453 ' CB ' ' O ' ' A' ' 30' ' ' MET . 0.9 OUTLIER 164.35 161.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.404 1.065 . . . . 0.0 110.347 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.502 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 4.0 m -86.9 -178.67 6.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 108.26 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.489 ' C ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -133.89 119.89 19.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.339 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.478 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 0.6 OUTLIER -91.23 117.38 34.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.61 176.13 38.05 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.447 1.092 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.44 ' SG ' ' CD2' ' A' ' 9' ' ' PHE . 98.1 m -83.86 148.59 26.89 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.431 ' NE2' ' HB2' ' A' ' 10' ' ' ASN . 0.8 OUTLIER -135.54 -177.09 4.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 65.8 m -93.54 131.09 39.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 108.306 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.467 ' CG ' HG11 ' A' ' 8' ' ' VAL . 61.3 mt-30 -66.33 168.42 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -62.5 103.72 0.44 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.16 3.03 8.28 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.529 1.143 . . . . 0.0 111.05 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 28.0 m-85 -133.14 154.47 50.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 0.731 . . . . 0.0 111.055 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.486 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 55.9 mt -129.46 149.95 51.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -84.66 133.99 34.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.563 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 27.4 p-10 -108.69 146.29 33.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.248 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.453 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.92 -29.02 0.02 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.583 1.177 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.4 OUTLIER -78.96 32.22 0.21 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 0.79 . . . . 0.0 110.233 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.453 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.96 34.15 0.27 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.563 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.61 163.4 15.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.4 m -111.53 100.89 9.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.102 . . . . 0.0 108.324 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.9 m -115.86 141.9 31.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.402 1.064 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.28 156.96 1.75 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.486 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 17.9 Cg_endo -75.04 -29.89 7.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.391 1.732 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -75.21 -6.42 49.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.344 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.23 0.74 16.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.881 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 2' ' ' GLU . 0.3 OUTLIER -177.55 60.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.696 1.247 . . . . 0.0 110.227 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.6 m -116.98 -164.37 0.98 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 108.316 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.401 ' N ' ' OE1' ' A' ' 7' ' ' GLU . . . -100.18 -172.27 29.88 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.522 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.4 Cg_endo -74.98 126.5 10.02 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.575 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 6.1 m-20 83.57 1.8 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.211 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' OE1' ' N ' ' A' ' 4' ' ' GLY . 24.0 mt-10 -101.61 158.03 16.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 0.0 110.371 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.48 ' CG1' ' CG ' ' A' ' 39' ' ' GLN . 8.4 m -145.37 152.38 14.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.492 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 0.8 OUTLIER -106.12 129.6 54.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 111.042 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.429 ' OD1' ' CD ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -132.53 131.86 42.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.591 1.182 . . . . 0.0 109.256 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.497 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.2 p -77.98 -4.77 48.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.495 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.501 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 1.0 OUTLIER -153.55 76.91 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 108.333 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.24 176.46 21.82 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.477 1.111 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.91 108.24 5.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 109.999 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.76 -30.49 61.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.608 1.193 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.71 35.78 3.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.237 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.47 164.9 0.3 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 0.0 109.353 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.459 ' CD ' ' HB ' ' A' ' 25' ' ' THR . 18.5 Cg_endo -74.92 163.16 36.03 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.547 1.814 . . . . 0.0 111.078 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.2 p -151.88 176.88 11.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.369 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -21.11 12.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 108.352 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.9 -53.42 4.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -113.92 96.39 41.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.74 8.55 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.496 1.787 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -126.45 116.12 20.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.459 ' HB ' ' CD ' ' A' ' 18' ' ' PRO . 7.5 t -99.54 174.92 6.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.435 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -175.36 48.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.381 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 26' ' ' ARG . 3.2 mp 57.46 161.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.94 -35.1 6.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 108.345 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.6 t -174.74 -163.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.388 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 ttt -82.91 76.89 9.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 169.21 160.15 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.072 . . . . 0.0 110.354 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.501 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 6.0 m -98.8 -177.28 3.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.488 1.118 . . . . 0.0 108.238 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.474 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -134.18 118.43 17.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.322 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.497 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -85.98 118.45 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.4 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.79 178.95 36.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.492 ' SG ' ' CD2' ' A' ' 9' ' ' PHE . 95.4 m -87.68 138.9 31.06 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.429 ' CD ' ' OD1' ' A' ' 10' ' ' ASN . 12.6 pt20 -127.24 -176.87 3.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 44' ' ' ARG . 59.1 m -93.4 121.18 34.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.426 1.079 . . . . 0.0 108.296 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.48 ' CG ' ' CG1' ' A' ' 8' ' ' VAL . 39.7 mt-30 -54.18 168.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.317 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -64.84 104.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.06 2.37 7.79 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.432 1.082 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 6' ' ' ASN . 22.9 m-85 -133.15 151.53 51.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 0.75 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.518 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 30.9 mt -129.57 142.95 50.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.457 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 0.8 OUTLIER -81.07 130.44 35.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' GLY . 15.8 p-10 -96.36 151.69 19.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -33.68 -32.61 0.02 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.473 1.108 . . . . 0.0 111.081 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 45' ' ' ASN . 1.4 tt0 -84.57 36.12 0.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 0.723 . . . . 0.0 110.371 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 36.87 38.1 0.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.436 1.085 . . . . 0.0 111.034 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.472 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -113.4 121.55 44.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.2 m -78.69 95.23 5.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.603 1.189 . . . . 0.0 108.365 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.5 m -115.43 145.86 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.438 ' HG ' ' CD2' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -53.97 156.98 4.62 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.518 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.7 Cg_endo -75.03 -29.83 7.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.78 . . . . 0.0 110.982 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -75.05 -6.14 47.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 110.297 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.23 0.18 15.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.449 -0.522 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.456 ' HG2' ' H2 ' ' A' ' 1' ' ' GLU . 2.8 pt-20 . . . . . 0 N--CA 1.45 -0.463 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 3' ' ' CYS . 0.8 OUTLIER 172.06 84.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.143 . . . . 0.0 110.353 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 2' ' ' GLU . 3.5 m -40.29 157.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.372 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.63 -168.47 20.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.106 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.528 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.97 130.42 13.29 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.509 1.794 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.573 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.3 m-20 83.73 0.88 1.02 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -105.85 165.42 11.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.435 1.084 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.482 ' CG2' ' HG2' ' A' ' 39' ' ' GLN . 1.4 m -142.41 175.22 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.429 ' CD1' ' SG ' ' A' ' 36' ' ' CYS . 1.6 t80 -122.67 131.93 54.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.499 ' ND2' ' NE2' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -127.41 123.75 36.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.486 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.1 p -79.05 -20.33 49.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.488 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -144.4 79.85 1.62 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 108.291 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -106.92 175.68 20.83 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.517 1.136 . . . . 0.0 110.949 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.9 123.45 18.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.43 0.724 . . . . 0.0 110.017 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.23 -24.19 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.634 1.209 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' O ' ' O ' ' A' ' 17' ' ' ALA . 2.1 m -136.89 53.96 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 108.235 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 16' ' ' CYS . . . -44.47 167.69 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.499 ' O ' ' CG2' ' A' ' 19' ' ' THR . 18.4 Cg_endo -74.95 156.79 43.22 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 18' ' ' PRO . 21.1 p -157.44 -171.15 3.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -28.33 69.93 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.437 1.085 . . . . 0.0 108.27 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.75 -41.16 19.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -124.67 90.29 51.14 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.368 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 1.29 7.89 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.507 1.793 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.93 113.5 16.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.9 m -38.72 142.35 0.21 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.55 1.156 . . . . 0.0 110.377 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -155.38 94.7 1.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.291 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.6 mp -45.08 160.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -123.78 -43.91 2.11 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 124.427 1.079 . . . . 0.0 108.322 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.3 t -155.66 178.67 9.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.57 80.7 9.15 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.548 1.155 . . . . 0.0 111.025 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 176.07 149.86 0.12 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.614 1.196 . . . . 0.0 110.387 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.488 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 3.2 m -93.46 169.7 10.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 108.34 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.519 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -131.63 128.8 39.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 110.338 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.486 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 0.9 OUTLIER -89.78 121.73 40.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.606 1.191 . . . . 0.0 109.238 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.21 167.43 30.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.454 1.097 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.429 ' SG ' ' CD1' ' A' ' 9' ' ' PHE . 93.9 m -78.17 146.97 34.73 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.499 ' NE2' ' ND2' ' A' ' 10' ' ' ASN . 7.2 pt20 -134.19 -176.31 4.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.408 ' SG ' ' C ' ' A' ' 43' ' ' LEU . 55.1 m -95.02 128.35 41.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.302 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.482 ' HG2' ' CG2' ' A' ' 8' ' ' VAL . 30.9 mt-30 -63.67 174.77 1.26 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 110.35 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -66.42 104.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 110.262 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.34 -2.5 8.92 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.527 1.142 . . . . 0.0 111.079 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 8.8 m-85 -129.96 152.61 49.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 0.731 . . . . 0.0 111.102 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 17.0 mt -130.57 147.11 52.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.61 1.194 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 4.4 ttp180 -81.73 133.83 35.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.24 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.555 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 27.6 p-10 -109.55 146.47 34.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.352 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.458 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.57 -29.04 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ASN . 2.0 tt0 -79.01 32.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.6 33.74 0.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.594 1.184 . . . . 0.0 111.054 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.555 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.63 160.56 19.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 0.802 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.5 m -108.53 98.31 7.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 108.316 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.8 m -115.1 143.45 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.07 156.55 1.32 Allowed Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.474 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 17.8 Cg_endo -75.15 -29.69 7.74 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -75.29 -7.13 53.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.087 . . . . 0.0 110.181 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -110.55 -0.22 17.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 2' ' ' GLU . 10.1 mm-40 . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 1' ' ' GLU . 1.7 pt-20 36.22 39.52 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.6 m -73.77 171.39 13.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.272 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.13 176.26 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.6 Cg_endo -74.86 126.17 9.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.77 . . . . 0.0 111.09 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.574 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 6.4 m-20 82.04 4.54 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.077 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -103.13 159.74 15.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.472 HG11 ' CG ' ' A' ' 39' ' ' GLN . 16.1 m -144.64 150.23 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.602 1.189 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.444 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.9 t80 -99.74 126.25 45.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 111.085 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.685 HD21 ' NE2' ' A' ' 37' ' ' GLN . 2.9 m-80 -124.75 131.72 53.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.414 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.0 OUTLIER -83.51 6.04 21.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.585 1.178 . . . . 0.0 110.362 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.491 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -170.7 77.87 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 108.342 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.26 176.09 16.19 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.8 p -64.46 108.0 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 0.79 . . . . 0.0 109.968 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.08 -32.19 54.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 m -114.4 41.92 2.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 108.322 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.19 172.53 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 149.68 37.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.3 p -137.01 169.86 17.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -23.93 21.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 108.265 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.25 -42.94 11.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.575 1.172 . . . . 0.0 109.227 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -119.31 80.27 20.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.407 1.067 . . . . 0.0 110.31 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.471 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.92 62.82 5.86 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.75 140.76 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.599 1.187 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 m -66.68 152.12 46.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.411 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.07 87.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mp -40.77 160.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -126.64 -44.81 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 108.305 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.0 p -132.66 -176.69 4.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 110.379 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -94.71 37.55 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.68 171.49 14.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.491 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 5.1 m -98.28 -179.68 4.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 108.317 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.38 119.74 22.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.414 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 4.1 mt -88.69 120.19 37.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.03 176.75 31.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.592 1.182 . . . . 0.0 110.972 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 60.9 m -78.53 147.43 33.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.685 ' NE2' HD21 ' A' ' 10' ' ' ASN . 3.7 pt20 -139.33 -179.2 5.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 44' ' ' ARG . 33.8 m -90.67 126.07 35.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 108.282 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.472 ' CG ' HG11 ' A' ' 8' ' ' VAL . 39.5 mt-30 -61.29 168.85 2.43 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.544 1.153 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -64.28 102.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.05 -0.39 6.6 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.43 1.081 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 6' ' ' ASN . 28.2 m-85 -129.95 154.33 47.47 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.477 0.751 . . . . 0.0 110.951 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 25.8 mt -132.1 140.23 48.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.441 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 3.3 ttt180 -79.23 130.29 35.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.543 ' O ' ' N ' ' A' ' 48' ' ' GLY . 24.1 p-10 -95.06 152.31 18.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -34.32 -32.06 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.617 1.198 . . . . 0.0 110.96 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -84.82 35.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 0.789 . . . . 0.0 110.288 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 37.88 38.33 0.5 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 0.0 110.951 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.49 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -113.32 120.21 40.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 0.74 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.7 m -77.8 96.12 4.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.108 . . . . 0.0 108.311 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.6 m -118.5 146.87 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.466 ' HG ' ' CD2' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -54.57 156.74 5.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.477 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.2 Cg_endo -74.99 -29.67 7.98 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -75.43 -5.97 47.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -111.85 0.26 16.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.573 1.171 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 N--CA 1.45 -0.472 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.29 42.09 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.1 m -78.18 170.59 16.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 108.291 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.93 176.09 0.12 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.57 1.169 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.517 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.4 Cg_endo -74.96 125.84 9.61 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.47 1.774 . . . . 0.0 110.998 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 6.0 m-20 82.8 4.75 0.98 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -104.63 158.04 16.77 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.577 1.173 . . . . 0.0 110.308 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.491 ' CG1' ' CG ' ' A' ' 39' ' ' GLN . 18.4 m -142.61 154.19 17.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.076 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.468 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 2.1 t80 -102.63 127.98 49.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.661 HD21 ' NE2' ' A' ' 37' ' ' GLN . 3.0 m-80 -128.19 138.46 52.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.197 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.457 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 1.0 OUTLIER -89.25 12.84 14.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 0.0 110.393 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.486 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -178.09 78.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.603 1.19 . . . . 0.0 108.287 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.429 ' O ' ' CG ' ' A' ' 33' ' ' ARG . . . -109.81 165.64 12.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.443 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -45.91 103.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.77 . . . . 0.0 110.017 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.92 -36.93 3.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m -122.1 51.25 1.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 108.253 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.09 168.52 0.34 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.256 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 157.86 42.73 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.464 1.77 . . . . 0.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.0 p -142.16 -176.39 4.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.382 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.6 -28.97 69.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 108.247 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.17 -45.84 14.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.382 1.052 . . . . 0.0 109.344 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -116.86 80.62 11.21 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.469 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.01 62.67 5.91 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.797 . . . . 0.0 111.065 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.3 pttt -179.02 122.36 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.402 1.063 . . . . 0.0 109.353 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 m -42.34 159.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.377 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.26 85.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -44.84 160.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -125.91 -45.58 1.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 108.326 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 30' ' ' MET . 8.8 t -153.33 -171.39 3.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.436 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.408 ' N ' ' OG1' ' A' ' 29' ' ' THR . 3.0 ttm -90.87 51.57 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -145.57 165.94 27.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.486 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 6.2 m -112.84 178.12 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 108.314 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.443 ' NH1' ' O ' ' A' ' 14' ' ' SER . 0.6 OUTLIER -123.79 126.69 46.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.457 ' CD1' ' O ' ' A' ' 11' ' ' THR . 1.0 OUTLIER -96.35 116.26 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.88 -177.1 33.15 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.436 1.085 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 66.6 m -78.51 152.53 31.95 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.661 ' NE2' HD21 ' A' ' 10' ' ' ASN . 4.1 pt20 -144.14 -178.16 5.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 61.7 m -91.63 125.81 36.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 108.288 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.491 ' CG ' ' CG1' ' A' ' 8' ' ' VAL . 41.8 mt-30 -61.85 168.81 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -64.51 102.72 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 110.321 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.06 0.58 6.97 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.45 1.094 . . . . 0.0 111.032 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 6' ' ' ASN . 28.7 m-85 -129.8 153.09 48.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 111.017 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.524 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 54.3 mt -130.49 138.11 50.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -78.22 130.49 36.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.387 1.054 . . . . 0.0 110.377 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' GLY . 18.8 p-10 -97.53 150.9 20.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -34.14 -31.94 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.555 1.16 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -83.54 34.97 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.594 0.82 . . . . 0.0 110.312 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 37.5 38.09 0.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.602 1.189 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.523 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -114.83 122.42 46.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.535 0.785 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 19.5 m -79.01 96.04 5.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 108.258 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.3 m -116.79 145.43 22.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 mp -52.13 157.23 2.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.524 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.07 -29.34 8.22 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.573 1.828 . . . . 0.0 110.983 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -75.02 -7.48 53.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.345 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -111.14 0.9 17.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.105 . . . . 0.0 109.237 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 . . . . . 0 N--CA 1.449 -0.514 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 3' ' ' CYS . 13.7 tt0 74.34 82.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.423 ' SG ' ' C ' ' A' ' 8' ' ' VAL . 2.6 m -41.41 160.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 108.294 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.35 -161.23 34.15 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.525 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.4 Cg_endo -75.02 128.74 11.71 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.559 1.82 . . . . 0.0 110.999 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 6.3 m-20 84.8 -0.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -107.81 156.26 19.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.361 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.475 ' CG1' ' CD ' ' A' ' 39' ' ' GLN . 18.0 m -140.12 160.63 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.415 ' HB2' ' SG ' ' A' ' 3' ' ' CYS . 2.3 t80 -108.8 129.96 55.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.616 1.197 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.465 ' ND2' ' NE2' ' A' ' 37' ' ' GLN . 1.3 m-80 -127.72 127.4 43.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.487 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.1 p -79.33 -13.12 59.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.565 1.166 . . . . 0.0 110.422 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.494 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -150.93 80.51 1.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 108.321 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.8 -179.19 19.57 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 p -70.73 111.07 5.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.421 0.718 . . . . 0.0 110.013 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.64 -17.94 26.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -123.99 31.96 5.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 108.322 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -43.93 164.95 0.14 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.484 ' CD ' ' HB ' ' A' ' 25' ' ' THR . 18.1 Cg_endo -75.0 160.0 40.68 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.444 1.76 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.7 p -152.23 -173.5 4.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.348 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -20.74 66.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.582 1.177 . . . . 0.0 108.34 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.2 -47.02 8.06 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -119.07 96.27 49.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.93 8.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.439 1.758 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.95 115.34 17.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.484 ' HB ' ' CD ' ' A' ' 18' ' ' PRO . 9.3 t -96.25 173.85 7.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 110.404 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.41 ' CD ' ' O ' ' A' ' 26' ' ' ARG . 4.9 tmm_? -175.58 48.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mp 58.03 160.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.42 -34.16 6.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 108.328 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.7 t -172.43 -172.41 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.471 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.76 61.92 1.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 111.068 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -174.96 169.71 3.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.494 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 4.3 m -107.56 176.06 5.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.595 1.185 . . . . 0.0 108.256 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -127.88 128.49 45.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.487 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -95.73 117.24 39.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.364 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.25 175.78 36.21 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 87.9 m -80.52 151.2 29.31 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.465 ' NE2' ' ND2' ' A' ' 10' ' ' ASN . 3.1 pt20 -141.37 179.45 6.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.361 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 89.6 m -90.55 133.47 35.06 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.543 1.152 . . . . 0.0 108.321 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.475 ' CD ' ' CG1' ' A' ' 8' ' ' VAL . 36.7 mt-30 -73.17 176.1 6.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -66.33 103.48 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.184 . . . . 0.0 110.222 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.89 -0.44 8.41 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 6' ' ' ASN . 14.4 m-85 -131.94 151.84 51.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 0.794 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.482 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 23.6 mt -128.56 150.19 50.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.433 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 1.3 tpt180 -84.62 136.29 33.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.544 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 27.1 p-10 -112.62 146.18 39.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.451 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.68 -29.2 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.453 1.096 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.3 OUTLIER -78.69 33.17 0.2 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 0.792 . . . . 0.0 110.321 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 37.92 33.43 0.15 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.544 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -114.61 165.36 12.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 0.768 . . . . 0.0 109.356 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.4 m -114.27 99.33 7.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 108.294 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.3 m -114.43 143.02 25.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 mp -50.53 156.9 1.38 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.482 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.5 Cg_endo -75.02 -29.16 8.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.466 1.772 . . . . 0.0 110.947 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.22 -8.06 55.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -109.95 -0.03 18.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 109.342 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.496 ' CB ' ' CB ' ' A' ' 9' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.516 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 51.88 42.33 30.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 0.0 110.295 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.2 m -118.73 171.04 8.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 108.339 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.43 178.51 1.52 Allowed Glycine 0 CA--C 1.532 1.107 0 O-C-N 124.51 1.131 . . . . 0.0 110.939 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.99 127.3 10.58 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.539 1.81 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 7.2 m-20 83.25 3.29 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.599 1.187 . . . . 0.0 109.284 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -107.4 158.22 17.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 110.352 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.454 HG11 ' CG ' ' A' ' 39' ' ' GLN . 24.5 m -140.74 160.93 24.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.496 ' CB ' ' CB ' ' A' ' 1' ' ' GLU . 2.1 t80 -107.4 127.7 53.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.53 1.144 . . . . 0.0 111.062 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.488 ' ND2' ' NE2' ' A' ' 37' ' ' GLN . 2.4 m-80 -127.61 130.45 49.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.473 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.0 OUTLIER -78.5 -12.67 60.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.394 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.494 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -150.65 79.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 108.249 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.52 176.84 20.4 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.524 1.14 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 p -69.69 108.35 3.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.389 0.699 . . . . 0.0 110.001 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.16 -34.07 21.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -115.2 44.08 1.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 108.265 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.73 171.96 0.11 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.502 ' O ' ' CG2' ' A' ' 19' ' ' THR . 18.1 Cg_endo -75.01 161.82 38.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.552 1.817 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 18' ' ' PRO . 32.2 p -156.93 179.56 9.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -26.65 50.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 108.332 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.32 -48.88 9.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -115.28 91.57 28.63 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.174 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 1.2 7.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.57 1.826 . . . . 0.0 111.029 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.77 -172.17 2.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.9 m -102.64 140.51 36.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.78 86.45 1.12 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -43.68 159.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.202 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.83 -42.99 2.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.281 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.3 t -168.56 177.86 5.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.36 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.5 mtt -85.63 67.02 9.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.94 125.99 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.494 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 3.8 m -73.03 175.61 6.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 108.283 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.496 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -130.19 122.18 27.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.354 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.473 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -88.93 117.21 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.87 178.23 35.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.475 1.11 . . . . 0.0 110.974 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 64.4 m -79.15 149.46 31.99 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.488 ' NE2' ' ND2' ' A' ' 10' ' ' ASN . 4.4 pt20 -141.23 -178.74 5.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.5 m -89.89 131.3 35.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 108.253 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.454 ' CG ' HG11 ' A' ' 8' ' ' VAL . 30.5 mt-30 -68.01 168.72 11.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.265 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -63.86 103.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.083 . . . . 0.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.69 0.36 7.22 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.377 1.048 . . . . 0.0 111.027 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 6' ' ' ASN . 33.9 m-85 -129.18 153.28 47.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.512 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 55.2 mt -130.47 137.81 49.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.388 1.055 . . . . 0.0 109.363 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -78.99 129.21 34.21 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.557 1.161 . . . . 0.0 110.225 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.543 ' O ' ' N ' ' A' ' 48' ' ' GLY . 23.3 p-10 -94.74 151.86 18.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -34.02 -32.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.409 1.068 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 45' ' ' ASN . 5.1 tt0 -84.43 35.8 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 0.745 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 37.23 37.88 0.33 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.481 1.113 . . . . 0.0 111.057 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.505 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -112.48 120.61 42.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.2 m -78.03 95.72 4.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 108.377 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.4 m -117.77 145.49 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.356 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.23 156.92 2.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.512 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.96 -30.21 7.47 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.479 1.778 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -75.01 -6.65 50.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.378 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.22 0.41 16.76 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.45 -0.463 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.863 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.459 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -103.92 39.17 1.67 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.7 m -109.15 170.81 7.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 108.332 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.53 177.11 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.96 126.39 9.96 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.549 1.815 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 5.9 m-20 83.26 3.43 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.402 ' HG2' ' SG ' ' A' ' 50' ' ' CYS . 27.9 mt-10 -103.9 156.52 17.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.439 HG12 ' CG ' ' A' ' 39' ' ' GLN . 3.0 m -140.06 152.58 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.448 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.4 t80 -103.04 127.04 50.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.419 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 3.7 m-80 -125.24 129.97 51.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.472 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.0 OUTLIER -79.28 -6.5 56.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.445 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.517 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 1.7 t -148.93 75.4 1.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.145 . . . . 0.0 108.278 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.64 -152.92 25.47 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.528 1.142 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.01 121.54 45.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.929 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.72 -26.58 67.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 17' ' ' ALA . 17.1 m -123.06 35.58 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.376 1.047 . . . . 0.0 108.302 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 16' ' ' CYS . . . -44.97 168.18 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.359 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.51 ' O ' ' CG2' ' A' ' 19' ' ' THR . 18.0 Cg_endo -75.04 157.22 42.74 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.46 1.768 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.51 ' CG2' ' O ' ' A' ' 18' ' ' PRO . 19.4 p -157.8 -172.92 4.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.427 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -19.68 49.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 108.254 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.98 -49.56 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -118.89 91.67 43.36 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 110.264 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 2.09 7.02 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 25' ' ' THR . 6.2 pttm -127.35 117.4 22.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.075 . . . . 0.0 109.233 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 24' ' ' LYS . 22.8 m -38.9 158.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.365 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -169.61 88.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 110.334 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 26' ' ' ARG . 2.5 mp -41.17 161.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.1 m -129.52 -46.65 1.18 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.437 1.086 . . . . 0.0 108.318 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.7 t -151.32 -174.67 4.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.481 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.68 87.48 5.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 170.22 137.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.517 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 9.0 m -73.28 176.88 5.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.637 1.21 . . . . 0.0 108.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.505 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -126.35 116.1 20.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.601 1.188 . . . . 0.0 110.324 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.472 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -87.81 119.03 34.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.52 176.74 32.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 59.8 m -78.19 152.39 32.69 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.419 ' NE2' ' HB2' ' A' ' 10' ' ' ASN . 1.1 pt20 -142.04 -179.29 6.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 95.1 m -93.58 132.21 38.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 108.285 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.439 ' CG ' HG12 ' A' ' 8' ' ' VAL . 36.2 mt-30 -69.53 171.96 8.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.252 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -64.57 103.52 0.68 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 110.262 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.97 -3.47 7.93 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' A' ' 6' ' ' ASN . 17.9 m-85 -127.46 153.03 46.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 0.744 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.485 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 16.7 mt -128.83 150.12 50.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.442 1.089 . . . . 0.0 109.344 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.417 ' NH1' ' HA2' ' A' ' 48' ' ' GLY . 4.3 ttp85 -85.26 134.21 34.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 110.392 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.542 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 26.0 p-10 -110.75 146.17 36.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.449 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.56 -29.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.5 OUTLIER -78.94 33.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 110.308 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.449 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.09 33.13 0.15 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.542 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -113.97 163.01 15.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.418 0.716 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.402 ' SG ' ' HG2' ' A' ' 7' ' ' GLU . 1.4 m -111.85 98.52 7.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.184 . . . . 0.0 108.328 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.9 m -114.59 142.65 26.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.85 156.77 1.54 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.485 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.1 Cg_endo -74.99 -29.9 7.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -75.63 -6.43 50.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 110.335 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.17 -0.67 17.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.376 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.2 t . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 N--CA 1.45 -0.472 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.441 ' O ' ' O ' ' A' ' 3' ' ' CYS . 2.0 tt0 72.56 78.21 0.15 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.41 1.068 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.441 ' O ' ' O ' ' A' ' 2' ' ' GLU . 35.1 m 40.52 -160.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 108.334 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.85 -173.23 44.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.073 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 17.8 Cg_endo -75.0 126.41 9.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 111.019 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.569 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.3 m-20 81.92 3.33 1.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -109.57 160.82 15.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.339 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 39' ' ' GLN . 4.6 m -141.79 177.74 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.433 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.5 t80 -125.31 132.21 52.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.031 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -132.41 133.93 44.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.478 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.1 p -81.1 -34.05 32.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.425 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.486 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 1.0 OUTLIER -131.5 77.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 108.259 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.84 169.61 13.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.44 1.088 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.434 ' C ' ' N ' ' A' ' 16' ' ' CYS . 1.8 p -48.89 103.76 0.05 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.577 0.81 . . . . 0.0 110.032 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.448 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -41.05 -30.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.434 ' N ' ' C ' ' A' ' 14' ' ' SER . 3.6 m -131.81 59.71 1.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.584 1.177 . . . . 0.0 108.279 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.57 168.81 0.36 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.321 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 157.66 42.62 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.8 p -144.81 -173.34 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.435 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.13 -20.38 65.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 108.235 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.51 -46.29 7.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -118.41 87.86 31.88 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 110.259 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 1.46 7.71 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.539 1.81 . . . . 0.0 111.063 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' THR . 3.5 mttm -120.43 114.93 22.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' LYS . 16.6 m -38.38 156.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -166.38 90.38 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.583 1.177 . . . . 0.0 110.284 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 26' ' ' ARG . 2.6 mp -40.6 159.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.401 1.063 . . . . 0.0 109.332 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.1 m -124.57 -44.94 1.95 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.446 1.091 . . . . 0.0 108.306 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.6 t -154.31 -177.17 6.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.082 . . . . 0.0 110.405 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.3 ttm -86.63 60.59 6.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.592 1.183 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -160.75 164.51 31.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.486 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 3.9 m -101.17 179.81 4.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 108.33 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.448 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -129.63 135.28 48.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.373 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.478 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 0.4 OUTLIER -105.74 121.07 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.19 177.92 31.73 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 95.1 m -80.73 146.17 31.17 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -134.5 -178.57 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 44' ' ' ARG . 66.8 m -91.13 125.16 35.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 108.343 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.47 ' HG2' ' CG1' ' A' ' 8' ' ' VAL . 41.9 mt-30 -56.87 166.93 0.87 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.593 1.183 . . . . 0.0 110.251 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -63.97 103.11 0.55 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.86 2.01 7.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 37.9 m-85 -130.95 153.81 48.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 0.784 . . . . 0.0 111.056 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.518 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 66.8 mt -131.51 139.41 49.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.386 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.451 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 3.3 ttm180 -78.7 131.66 36.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 18.2 p-10 -99.4 150.51 22.09 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.602 1.189 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -33.86 -32.06 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.588 1.18 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' ' 45' ' ' ASN . 1.0 OUTLIER -83.44 35.63 0.51 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.451 0.736 . . . . 0.0 110.353 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 36.81 37.43 0.23 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.515 1.134 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.54 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -114.83 123.44 49.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.1 m -79.8 97.3 6.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 108.266 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 m -117.58 145.3 23.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.241 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.06 156.77 1.64 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.518 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.04 -30.4 7.14 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.517 1.799 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -75.11 -6.42 49.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.385 1.053 . . . . 0.0 110.362 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -111.54 1.13 16.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.914 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 3' ' ' CYS . 2.2 tt0 172.94 83.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.412 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 2' ' ' GLU . 2.9 m -39.65 155.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 108.3 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.52 -164.37 38.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.6 Cg_endo -74.92 131.18 14.09 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.771 . . . . 0.0 111.047 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.548 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.0 m-20 83.54 1.18 1.04 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -109.01 160.22 16.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.157 . . . . 0.0 110.243 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.48 ' CG2' ' HG3' ' A' ' 37' ' ' GLN . 15.7 m -138.41 178.61 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 2.0 t80 -124.61 130.99 53.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.408 ' O ' ' HA ' ' A' ' 34' ' ' ILE . 1.1 m-80 -125.3 120.73 32.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.49 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -82.72 -9.21 59.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 110.431 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.482 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 1.4 t -159.65 74.74 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 108.297 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 14' ' ' SER . . . -116.85 171.92 14.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.541 1.15 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.446 ' C ' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -38.75 106.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 0.78 . . . . 0.0 110.011 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.475 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -40.94 -29.7 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.446 ' N ' ' C ' ' A' ' 14' ' ' SER . 1.6 m -135.18 58.47 1.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.092 . . . . 0.0 108.239 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.93 167.55 0.21 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.491 ' O ' ' CG2' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.11 162.78 36.3 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 18' ' ' PRO . 23.9 p -157.09 -172.77 4.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.367 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.3 -21.8 60.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.322 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.01 -51.74 5.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -115.06 93.25 34.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.331 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.96 8.28 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.54 1.811 . . . . 0.0 110.99 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 25' ' ' THR . 3.7 pttt -126.72 113.4 16.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 24' ' ' LYS . 4.1 m -38.34 150.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 110.431 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -160.2 95.23 1.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.076 . . . . 0.0 110.322 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 26' ' ' ARG . 2.6 mp -40.52 159.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.225 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.06 -43.32 2.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 108.213 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.5 t -161.95 -174.78 4.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.459 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.38 82.39 8.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.959 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 172.23 161.38 0.11 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 110.244 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.482 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 3.4 m -94.99 176.33 6.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 108.307 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.475 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -129.58 132.77 46.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.49 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 1.3 mt -100.2 120.45 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.18 166.08 24.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.438 1.086 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 73.3 m -74.76 138.89 42.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.48 ' HG3' ' CG2' ' A' ' 8' ' ' VAL . 11.9 pt20 -121.15 -179.39 4.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.413 ' SG ' ' C ' ' A' ' 43' ' ' LEU . 63.3 m -97.34 128.4 44.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 108.214 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.48 ' NE2' ' CG1' ' A' ' 8' ' ' VAL . 3.8 mm-40 -60.91 173.42 0.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.91 102.28 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.385 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.56 -1.19 8.08 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 16.0 m-85 -129.24 153.0 48.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 14.3 mt -129.62 150.21 51.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -85.56 132.79 34.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.565 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 29.0 p-10 -109.1 146.55 33.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 109.209 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.46 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -36.47 -28.33 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.559 1.162 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 45' ' ' ASN . 1.3 tt0 -79.03 31.82 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 0.803 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 39.0 34.29 0.29 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.565 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -116.03 160.59 20.08 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.4 m -110.06 97.51 6.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.41 1.069 . . . . 0.0 108.258 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.5 m -115.22 144.02 23.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mt -49.51 156.5 1.12 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.472 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.0 Cg_endo -75.01 -29.91 7.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -75.28 -7.02 52.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.46 -0.67 17.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 3' ' ' CYS . 24.2 tt0 44.88 44.42 7.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 2' ' ' GLU . 31.8 m 39.63 -159.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 108.279 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.46 -173.35 35.32 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.485 1.116 . . . . 0.0 111.07 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.518 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.3 Cg_endo -74.97 126.42 9.97 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.447 1.762 . . . . 0.0 110.968 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.562 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.3 m-20 83.11 2.98 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' A' ' 5' ' ' PRO . 1.0 OUTLIER -107.48 163.81 12.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.476 ' CG1' ' HG2' ' A' ' 39' ' ' GLN . 3.6 m -142.85 177.14 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.496 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.5 t80 -129.14 136.32 50.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.593 1.183 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.436 ' OD1' ' NE2' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -135.99 131.82 35.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.477 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.2 p -82.28 -13.64 56.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.595 1.184 . . . . 0.0 110.355 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.488 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -148.14 79.8 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 108.286 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.59 169.31 12.82 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -50.34 107.74 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 0.754 . . . . 0.0 110.037 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.439 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -41.41 -31.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' N ' ' C ' ' A' ' 14' ' ' SER . 1.7 m -133.14 57.87 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 108.259 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.37 168.72 0.25 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.384 1.052 . . . . 0.0 109.204 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 159.19 41.88 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.427 1.751 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.6 p -151.66 -166.12 2.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 110.357 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -20.44 66.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.432 1.082 . . . . 0.0 108.288 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.41 -51.12 5.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -116.17 93.61 39.5 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.358 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.86 1.53 7.56 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.475 1.777 . . . . 0.0 111.03 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' THR . 5.4 mtmm -125.75 116.96 22.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 24' ' ' LYS . 2.5 m -36.73 153.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -161.7 92.01 0.85 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 110.371 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' ARG . 2.1 mp -41.31 161.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -128.51 -45.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 108.284 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.8 t -159.46 163.22 35.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.371 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.478 ' O ' ' CB ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -69.39 90.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 111.081 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 30' ' ' MET . 0.6 OUTLIER 161.85 133.75 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.445 1.091 . . . . 0.0 110.41 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.488 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 4.1 m -68.74 179.07 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 108.379 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.439 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -132.03 132.25 43.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.18 . . . . 0.0 110.262 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.477 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -97.61 118.25 43.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.79 175.78 38.49 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.63 1.206 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.496 ' SG ' ' CD2' ' A' ' 9' ' ' PHE . 99.6 m -85.32 141.92 29.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.436 ' NE2' ' OD1' ' A' ' 10' ' ' ASN . 3.7 pt20 -125.68 -174.77 3.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.392 1.057 . . . . 0.0 110.338 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 66.2 m -95.95 132.38 41.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 108.255 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.476 ' HG2' ' CG1' ' A' ' 8' ' ' VAL . 70.1 mt-30 -65.68 168.28 7.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.278 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.93 102.76 0.38 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.086 . . . . 0.0 110.19 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.83 1.37 8.19 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 28.4 m-85 -131.2 153.65 49.23 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.55 0.794 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.484 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 21.2 mt -130.0 148.06 51.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.09 135.36 34.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.35 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.555 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 26.1 p-10 -111.8 146.19 38.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.451 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.47 -29.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.2 OUTLIER -79.04 33.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.791 . . . . 0.0 110.349 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 37.53 34.11 0.14 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.401 1.063 . . . . 0.0 111.055 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.555 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.55 161.15 19.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.783 . . . . 0.0 109.28 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 m -110.04 98.94 8.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.623 1.202 . . . . 0.0 108.3 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.3 m -114.22 142.8 25.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.172 . . . . 0.0 109.248 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.48 156.71 1.43 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.413 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.484 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.08 -29.98 7.53 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 110.953 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -75.53 -6.12 48.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.03 0.24 16.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.857 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 1' ' ' GLU . 1.8 pt-20 37.01 40.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.624 1.203 . . . . 0.0 110.247 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 9' ' ' PHE . 10.7 m -46.48 169.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 108.253 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.445 ' N ' ' OE1' ' A' ' 7' ' ' GLU . . . -53.5 -169.92 0.03 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.601 1.188 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.5 Cg_endo -74.95 125.94 9.68 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.491 1.785 . . . . 0.0 111.062 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.579 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 8.4 m-20 82.44 1.76 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 4' ' ' GLY . 15.8 mt-10 -102.97 157.16 17.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.086 . . . . 0.0 110.321 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.519 ' CG1' ' CG ' ' A' ' 39' ' ' GLN . 7.5 m -146.04 146.33 19.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.409 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 2.9 t80 -92.31 124.58 36.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 111.031 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 34' ' ' ILE . 0.4 OUTLIER -120.83 121.15 37.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.48 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.1 p -75.98 -20.09 58.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.415 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.494 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -146.28 79.67 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 108.233 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.62 173.94 17.42 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.46 ' OG ' ' CB ' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -59.53 105.19 0.33 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 0.738 . . . . 0.0 109.948 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.02 -29.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.45 ' N ' ' C ' ' A' ' 14' ' ' SER . 22.1 m -131.99 58.14 1.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 108.265 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.46 ' CB ' ' OG ' ' A' ' 14' ' ' SER . . . -61.7 169.38 2.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.183 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.488 ' O ' ' CG2' ' A' ' 19' ' ' THR . 18.7 Cg_endo -74.89 161.54 38.86 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.394 1.734 . . . . 0.0 111.072 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 18' ' ' PRO . 7.7 p -158.21 -176.15 5.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.412 ' N ' ' HB3' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -55.37 -28.44 53.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 108.254 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.25 -50.07 9.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -115.82 90.88 28.65 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.59 1.181 . . . . 0.0 110.308 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.16 1.37 7.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.468 1.773 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.11 114.18 19.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.589 1.181 . . . . 0.0 109.245 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.7 m -41.49 153.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.28 86.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.415 HD12 ' N ' ' A' ' 27' ' ' ILE . 5.3 mm -44.08 159.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 O-C-N 124.544 1.153 . . . . 0.0 109.259 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -114.02 -36.74 4.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 108.274 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.3 t -175.31 -162.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.428 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -91.87 92.25 8.27 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.472 1.108 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 171.91 168.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.209 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.494 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 3.2 m -119.06 172.61 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 108.293 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.455 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -131.24 130.02 42.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.376 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.48 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 1.0 OUTLIER -94.13 119.44 42.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.22 167.94 26.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 78.7 m -71.36 146.09 49.0 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -137.19 -176.92 4.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.415 1.072 . . . . 0.0 110.263 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 89.0 m -96.15 129.51 43.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.602 1.189 . . . . 0.0 108.314 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.519 ' CG ' ' CG1' ' A' ' 8' ' ' VAL . 37.9 mt-30 -68.26 172.37 5.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.582 1.176 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -64.98 104.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 110.343 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.07 -2.63 7.86 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.562 1.164 . . . . 0.0 111.058 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 19.4 m-85 -128.8 153.72 47.13 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.509 0.77 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 17.8 mt -128.7 147.77 50.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.593 1.183 . . . . 0.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.441 ' HB3' ' CG2' ' A' ' 19' ' ' THR . 14.5 ttt180 -85.48 132.26 34.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.428 1.08 . . . . 0.0 110.249 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.559 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 26.3 p-10 -107.79 146.39 32.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.449 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.45 -29.3 0.01 OUTLIER Glycine 0 CA--C 1.528 0.879 0 O-C-N 124.486 1.117 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.3 OUTLIER -79.15 32.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 0.713 . . . . 0.0 110.313 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 38.23 34.2 0.21 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.559 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -114.42 157.82 22.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 0.73 . . . . 0.0 109.264 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 m -107.71 98.05 7.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 108.296 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.7 m -115.49 142.08 30.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.02 157.01 1.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.606 1.191 . . . . 0.0 109.325 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.481 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.08 -29.52 8.01 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -75.4 -6.92 52.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 110.258 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.52 0.16 17.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.919 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 3' ' ' CYS . 16.4 tt0 39.66 40.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.236 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 2' ' ' GLU . 26.6 m 39.97 -159.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 108.35 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.06 -171.61 26.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.594 1.184 . . . . 0.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.96 127.59 10.84 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.431 1.753 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.57 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 7.2 m-20 81.62 2.3 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -105.77 160.05 15.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.162 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 36' ' ' CYS . 1.7 m -139.46 177.14 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.174 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.439 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.5 t80 -129.27 134.34 47.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -133.96 133.88 41.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.464 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.2 p -85.79 -0.83 56.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 110.363 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.491 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -161.28 78.57 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 108.29 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.01 166.25 13.55 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.366 1.041 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.02 106.75 0.18 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.433 0.725 . . . . 0.0 109.974 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.468 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -52.57 -31.26 35.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.133 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.1 m -116.53 41.43 2.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 108.314 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.61 171.07 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.244 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.456 ' O ' ' CG2' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.06 164.46 33.21 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.41 1.742 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.456 ' CG2' ' O ' ' A' ' 18' ' ' PRO . 17.1 p -156.24 -173.63 4.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.423 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -23.53 65.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 108.379 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.81 -39.69 19.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.402 1.064 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -129.74 92.03 38.62 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.12 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.467 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 18.1 Cg_endo -75.04 60.18 5.4 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.548 1.815 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 23' ' ' PRO . 0.0 OUTLIER 179.29 143.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.844 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.0 m -65.99 162.89 18.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 110.448 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -175.3 80.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.626 1.204 . . . . 0.0 110.339 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.411 ' O ' ' O ' ' A' ' 26' ' ' ARG . 1.9 mp -39.02 157.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 m -121.86 -43.5 2.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 0.0 108.287 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -151.27 165.76 33.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.399 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 ptm -75.37 55.26 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.067 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -156.5 124.85 5.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.357 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.491 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 3.9 m -64.89 178.96 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.229 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.468 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -132.68 129.87 39.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 1.083 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.464 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 1.8 mt -94.98 118.44 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.3 177.59 38.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.128 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.44 ' O ' ' NH2' ' A' ' 33' ' ' ARG . 74.1 m -83.73 147.93 27.36 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -134.17 -177.29 4.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.384 1.053 . . . . 0.0 110.279 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 86.4 m -93.41 128.33 39.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 108.268 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.448 ' HB2' ' CD2' ' A' ' 42' ' ' PHE . 62.8 mt-30 -63.13 169.12 3.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -63.62 103.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.283 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.6 2.06 8.19 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 26.2 m-85 -132.18 154.93 49.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 0.767 . . . . 0.0 111.081 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.486 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 37.0 mt -130.83 152.68 49.9 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.585 1.178 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 5.8 ttp85 -84.94 136.83 33.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.532 ' O ' ' N ' ' A' ' 47' ' ' GLU . 27.8 p-10 -112.42 146.41 38.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -36.04 -28.76 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.575 1.172 . . . . 0.0 111.064 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -79.15 32.94 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 0.754 . . . . 0.0 110.297 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.454 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.04 34.35 0.2 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 111.052 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.528 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -116.74 163.92 15.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 0.736 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.79 101.11 9.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 108.309 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.6 m -116.24 144.48 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.54 156.17 2.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.486 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.05 -29.99 7.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -75.4 -6.48 50.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.579 ' O ' ' O ' ' A' ' 56' ' ' CYS . 0.9 OUTLIER -110.91 -0.87 16.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.579 ' O ' ' O ' ' A' ' 55' ' ' ASN . 1.8 t . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.494 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -104.48 39.4 1.68 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.635 1.209 . . . . 0.0 110.276 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' GLY . 60.7 m -117.66 168.79 10.11 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.536 1.147 . . . . 0.0 108.295 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 3' ' ' CYS . . . -48.14 178.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.123 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.5 Cg_endo -74.99 126.65 10.11 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.532 1.806 . . . . 0.0 111.061 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.566 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 6.9 m-20 82.84 3.33 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.414 1.072 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -107.19 161.81 14.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.27 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.48 ' CG1' ' HG2' ' A' ' 39' ' ' GLN . 6.6 m -141.45 177.14 3.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.421 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.6 t80 -124.26 132.96 53.61 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -132.11 131.96 42.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.478 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.0 OUTLIER -81.87 -11.84 58.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.415 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.502 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 1.8 t -148.41 73.91 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.6 1.188 . . . . 0.0 108.241 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.49 -178.81 22.43 Favored Glycine 0 CA--C 1.528 0.867 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.8 114.81 15.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.394 0.703 . . . . 0.0 110.017 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.45 -27.0 62.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 17' ' ' ALA . 1.6 m -119.18 40.74 3.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 108.272 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 16' ' ' CYS . . . -45.03 168.4 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 161.02 39.26 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.1 p -152.85 -179.82 7.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.419 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -20.17 15.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 108.38 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.01 -48.25 6.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.158 . . . . 0.0 109.283 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -116.37 88.79 24.58 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 110.324 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 1.32 7.89 Favored 'Trans proline' 0 C--N 1.362 1.24 0 O-C-N 124.455 1.766 . . . . 0.0 111.045 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -120.74 114.01 21.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.3 m -42.18 162.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.78 99.06 0.18 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.564 1.165 . . . . 0.0 110.42 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 28' ' ' CYS . 0.5 OUTLIER -47.0 150.66 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.462 ' N ' HG13 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -116.36 -36.37 4.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 108.252 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.1 t -156.27 -179.96 8.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.62 1.2 . . . . 0.0 110.363 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.18 41.36 1.0 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -145.05 141.66 29.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.591 1.182 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.502 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 3.9 m -76.46 -177.04 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 108.366 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.497 ' C ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -135.65 122.93 21.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.478 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 0.3 OUTLIER -91.82 116.11 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.61 178.17 37.8 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 86.0 m -81.72 150.55 27.92 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -139.59 -177.64 5.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 61.3 m -90.76 123.27 34.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.307 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.503 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 72.9 mt-30 -49.88 166.47 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.327 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -66.93 101.68 0.87 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 110.28 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.96 1.71 6.78 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.436 1.085 . . . . 0.0 110.954 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 6' ' ' ASN . 46.2 m-85 -125.8 154.43 42.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.525 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 47.9 mt -129.88 138.52 50.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 0.0 109.311 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -78.6 129.07 34.37 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.44 1.088 . . . . 0.0 110.355 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' GLY . 21.0 p-10 -96.0 151.07 19.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -34.37 -31.67 0.02 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.476 1.11 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' ASN . 1.0 OUTLIER -83.79 34.65 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 110.313 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 37.74 38.55 0.49 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.536 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.16 122.06 44.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.3 m -78.67 95.77 5.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 108.263 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.5 m -117.31 145.08 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.3 157.1 2.49 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.525 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.1 Cg_endo -75.04 -29.64 7.94 Favored 'Trans proline' 0 C--N 1.361 1.233 0 O-C-N 124.506 1.793 . . . . 0.0 110.982 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -75.21 -6.65 50.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.255 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.54 0.92 16.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.919 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -159.6 47.29 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.59 1.181 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.0 m -111.09 177.77 4.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 108.281 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.84 -174.4 1.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.555 1.159 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.7 Cg_endo -74.94 125.85 9.62 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.413 1.744 . . . . 0.0 111.074 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.566 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 5.9 m-20 82.31 3.35 1.21 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.158 . . . . 0.0 109.353 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -104.16 164.44 11.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.255 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.476 HG11 ' CG ' ' A' ' 39' ' ' GLN . 4.8 m -143.98 179.54 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.43 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.6 t80 -129.85 136.02 49.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.458 ' OD1' ' NE2' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -134.06 134.31 42.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.389 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.489 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.0 OUTLIER -85.13 -7.25 59.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.392 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.481 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -154.13 81.87 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 108.298 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.38 -178.22 20.78 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.115 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.02 107.59 8.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 0.798 . . . . 0.0 110.028 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.9 -23.23 2.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.419 ' N ' ' HB2' ' A' ' 28' ' ' CYS . 0.8 OUTLIER -128.66 47.02 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 108.254 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.1 168.43 6.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.435 ' CB ' ' HA ' ' A' ' 23' ' ' PRO . 18.2 Cg_endo -75.03 154.89 42.67 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.527 1.804 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.0 p -153.46 -179.67 7.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.365 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -23.52 67.44 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.453 1.095 . . . . 0.0 108.328 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.98 -58.78 3.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -137.34 90.68 15.0 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.435 ' HA ' ' CB ' ' A' ' 18' ' ' PRO . 18.0 Cg_endo -75.03 60.81 5.56 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.539 1.81 . . . . 0.0 110.923 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.05 122.27 15.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 m -97.27 141.46 30.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.379 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -175.49 41.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.584 1.178 . . . . 0.0 110.271 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' A' ' 26' ' ' ARG . 3.2 mp 53.97 169.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.408 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.419 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -132.51 -47.13 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 108.319 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.9 p -140.11 -167.46 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.424 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.9 mtt -92.11 55.73 2.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 110.967 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 176.77 167.16 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 110.262 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.481 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 8.7 m -86.15 174.68 8.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.392 1.057 . . . . 0.0 108.291 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.478 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -124.49 125.47 44.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.38 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.489 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -92.33 121.2 42.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.78 176.78 38.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 57.7 m -83.91 142.52 30.49 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.458 ' NE2' ' OD1' ' A' ' 10' ' ' ASN . 3.4 pt20 -127.0 -171.3 2.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 44' ' ' ARG . 63.8 m -102.61 132.2 48.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 108.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.476 ' CG ' HG11 ' A' ' 8' ' ' VAL . 11.6 mt-30 -64.35 171.34 3.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -64.08 111.04 2.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.412 1.07 . . . . 0.0 110.322 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.76 -2.77 21.45 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 42.9 m-85 -125.12 157.28 36.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.49 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 12.1 mt -130.87 153.7 48.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.374 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.46 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -85.11 115.24 22.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.629 1.206 . . . . 0.0 110.313 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.469 ' C ' ' H ' ' A' ' 47' ' ' GLU . 1.4 p-10 -92.67 135.24 34.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.08 . . . . 0.0 109.401 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -54.91 -7.55 1.08 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.469 ' H ' ' C ' ' A' ' 45' ' ' ASN . 3.1 tt0 -73.87 -0.9 17.41 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.511 0.771 . . . . 0.0 110.417 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.25 35.91 16.31 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.414 1.072 . . . . 0.0 111.002 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.462 ' CB ' HD22 ' A' ' 45' ' ' ASN . . . -154.0 -176.92 6.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.6 m -120.29 117.3 27.45 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 108.249 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 45' ' ' ASN . 29.5 m -125.21 143.36 39.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mp -50.65 156.76 1.47 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.49 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.96 -29.25 8.5 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.555 1.818 . . . . 0.0 111.037 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.69 -7.48 54.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -109.77 -0.88 18.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.259 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.449 -0.504 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 3' ' ' CYS . 11.9 tt0 -172.37 73.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.438 ' O ' ' O ' ' A' ' 2' ' ' GLU . 35.4 m 39.94 -159.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 0.0 108.351 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.71 -174.27 42.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.492 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.1 Cg_endo -75.08 125.69 9.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.597 1.84 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.577 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 5.4 m-20 83.21 2.29 1.03 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -101.13 160.94 13.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.469 HG11 ' CG ' ' A' ' 39' ' ' GLN . 5.9 m -146.48 153.85 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.429 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.441 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.0 OUTLIER -108.46 129.33 55.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.418 ' OD1' ' CD ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -131.61 134.78 46.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.495 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.3 p -81.61 -4.24 55.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.465 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.486 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.6 OUTLIER -157.47 80.6 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 108.265 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.6 172.77 14.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.115 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.8 p -58.49 107.91 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 109.951 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.486 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -52.45 -33.03 42.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.227 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m -117.54 45.82 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.292 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -46.0 169.74 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 154.84 42.61 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.544 1.813 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.5 p -144.67 177.31 8.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -23.6 49.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 108.284 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.19 -46.65 9.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.386 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -118.19 86.57 27.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 1.97 7.17 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.532 1.806 . . . . 0.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.94 112.1 19.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 m -39.15 155.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.53 92.26 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.593 1.183 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 mp -43.71 158.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -124.07 -44.73 2.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 108.318 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.2 p -135.61 -173.94 3.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.389 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.0 mtp -99.3 35.77 1.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 111.053 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.87 157.45 44.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.486 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 3.8 m -82.02 178.55 8.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 108.263 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.491 ' C ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -132.86 123.98 27.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.495 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -88.73 117.85 32.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.79 179.41 38.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.429 1.08 . . . . 0.0 110.962 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.441 ' SG ' ' CD2' ' A' ' 9' ' ' PHE . 72.3 m -86.15 145.22 27.11 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.418 ' CD ' ' OD1' ' A' ' 10' ' ' ASN . 14.8 pt20 -134.93 -175.63 3.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.1 m -93.61 128.38 39.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 108.329 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.469 ' CG ' HG11 ' A' ' 8' ' ' VAL . 23.9 mt-30 -61.36 168.42 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.09 103.26 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.56 0.23 7.31 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 43.8 m-85 -127.98 154.17 45.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.801 . . . . 0.0 111.046 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.503 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 44.2 mt -130.57 136.36 48.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.153 . . . . 0.0 109.243 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -77.82 128.4 33.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.552 ' O ' ' N ' ' A' ' 48' ' ' GLY . 23.9 p-10 -93.01 152.43 19.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -33.86 -32.45 0.02 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.547 1.155 . . . . 0.0 110.977 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 45' ' ' ASN . 2.0 tp10 -85.21 36.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 37.47 38.17 0.4 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.487 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -111.8 117.96 34.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 54.2 m -75.74 95.37 3.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 108.366 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.6 m -117.99 145.5 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 mp -52.97 157.1 3.01 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.366 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.503 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.03 -29.18 8.46 Favored 'Trans proline' 0 C--N 1.358 1.065 0 O-C-N 124.571 1.827 . . . . 0.0 111.06 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -75.26 -7.25 53.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.84 0.23 17.14 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.484 ' HA ' ' OE1' ' A' ' 1' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' A' ' 1' ' ' GLU . 4.5 mm-40 -90.98 34.32 0.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.615 1.197 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.4 m -104.41 174.91 5.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 108.311 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.26 179.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.518 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.4 Cg_endo -75.02 125.59 9.41 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.551 1.816 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 6.1 m-20 82.87 4.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -94.41 160.38 14.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.536 ' CG1' ' CG ' ' A' ' 39' ' ' GLN . 2.8 m -146.75 135.95 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.503 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.2 t80 -94.14 131.63 39.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.103 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.422 ' OD1' ' CD ' ' A' ' 37' ' ' GLN . 8.5 m120 -130.77 131.44 44.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.557 1.16 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.488 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -86.26 12.43 9.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.481 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 1.0 OUTLIER -178.35 76.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 108.297 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -115.55 172.89 14.44 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.451 ' OG ' ' CB ' ' A' ' 17' ' ' ALA . 1.3 p -41.2 106.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 0.751 . . . . 0.0 109.953 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.459 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -40.47 -33.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 m -132.64 57.08 1.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 108.277 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.451 ' CB ' ' OG ' ' A' ' 14' ' ' SER . . . -46.19 167.68 0.13 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.388 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 159.55 40.96 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.51 1.795 . . . . 0.0 110.992 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.5 p -151.48 -167.72 2.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.167 . . . . 0.0 110.346 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.47 -20.71 61.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.135 . . . . 0.0 108.3 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.22 -37.11 16.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.436 1.085 . . . . 0.0 109.193 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -130.73 86.41 52.66 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 61.37 5.68 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.607 1.846 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.34 143.02 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.375 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.7 m -63.35 151.14 41.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.432 1.082 . . . . 0.0 110.484 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.37 84.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.263 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.0 mm -41.05 159.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -113.1 -33.92 5.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 108.278 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.8 t -174.07 163.12 3.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.394 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.438 ' O ' ' CB ' ' A' ' 31' ' ' GLN . 7.4 ttp -58.27 92.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.438 ' CB ' ' O ' ' A' ' 30' ' ' MET . 3.9 mt-30 164.7 165.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.481 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 3.5 m -104.09 176.1 5.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 108.349 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.459 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -132.44 116.97 17.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.229 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.488 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 0.9 OUTLIER -83.94 122.71 38.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.24 173.9 31.48 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.554 1.159 . . . . 0.0 111.056 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.503 ' SG ' ' CD2' ' A' ' 9' ' ' PHE . 63.6 m -84.99 140.54 30.98 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.422 ' CD ' ' OD1' ' A' ' 10' ' ' ASN . 4.1 pt20 -128.23 -173.42 2.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.375 1.047 . . . . 0.0 110.262 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 43' ' ' LEU . 92.5 m -98.65 131.61 44.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 108.302 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.536 ' CG ' ' CG1' ' A' ' 8' ' ' VAL . 28.7 mt-30 -69.85 172.01 8.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.672 1.232 . . . . 0.0 110.297 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -63.15 102.89 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.336 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.91 4.31 7.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 6' ' ' ASN . 10.3 m-85 -137.35 150.56 47.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 0.727 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.402 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 11.7 mt -128.45 149.89 50.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.367 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 38.7 ttp180 -85.12 133.89 34.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.559 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 26.4 p-10 -110.15 146.35 35.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.452 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.56 -29.29 0.02 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.497 1.123 . . . . 0.0 111.073 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 45' ' ' ASN . 2.0 tt0 -78.9 32.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 0.741 . . . . 0.0 110.374 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.36 34.41 0.23 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.555 1.16 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.559 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.95 159.07 22.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.81 97.26 6.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 108.308 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.6 m -111.3 142.66 23.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.086 . . . . 0.0 109.234 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.59 156.43 0.85 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.363 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -30.19 7.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.442 1.759 . . . . 0.0 111.045 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -75.51 -6.78 51.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.417 1.073 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.31 0.4 18.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.869 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 3' ' ' CYS . 11.4 tt0 -146.52 61.78 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.168 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.444 ' O ' ' O ' ' A' ' 2' ' ' GLU . 33.6 m 39.75 -159.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.267 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.8 -172.62 42.44 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.556 1.16 . . . . 0.0 111.083 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.1 Cg_endo -75.01 126.06 9.71 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.624 1.855 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.587 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 7.8 m-20 82.21 3.45 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -106.6 158.02 17.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.465 HG11 ' CG ' ' A' ' 39' ' ' GLN . 16.3 m -142.15 163.53 18.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.418 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.9 t80 -114.44 129.38 56.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.96 137.85 52.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.473 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -86.29 -13.13 47.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.446 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.49 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -150.18 80.07 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 108.37 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.47 173.24 17.63 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.588 1.18 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.36 102.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 110.04 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.66 -30.59 0.64 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.7 m -127.47 56.56 1.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 108.274 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.95 168.3 4.82 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 161.24 38.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.792 . . . . 0.0 111.066 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.1 p -153.82 -179.39 7.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.422 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -24.6 42.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 108.314 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.26 -47.67 8.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -116.73 88.66 25.92 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 1.96 7.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 111.052 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -120.75 113.39 20.11 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 109.317 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 m -48.55 154.66 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.382 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.46 92.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.328 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.9 mp -40.98 160.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -123.65 -44.02 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 108.298 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 31' ' ' GLN . 15.0 t -171.54 169.76 5.99 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.461 1.101 . . . . 0.0 110.355 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.443 ' O ' ' CG ' ' A' ' 30' ' ' MET . 3.0 ptp -68.95 63.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 111.061 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 29' ' ' THR . 6.5 mm-40 -153.18 164.95 37.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.113 . . . . 0.0 110.372 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.49 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 3.7 m -120.39 174.39 6.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 108.329 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.53 131.9 45.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.473 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -95.99 120.0 44.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.59 177.69 35.81 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.115 . . . . 0.0 110.95 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 77.1 m -81.71 150.22 28.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -141.32 -178.06 5.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 110.242 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 87.4 m -91.82 133.7 35.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.094 . . . . 0.0 108.26 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.465 ' CG ' HG11 ' A' ' 8' ' ' VAL . 39.4 mt-30 -69.92 175.69 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.253 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -67.46 102.74 1.17 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.503 1.127 . . . . 0.0 110.235 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.83 -3.45 8.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.423 1.077 . . . . 0.0 111.019 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.587 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 13.2 m-85 -127.3 151.52 48.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 0.734 . . . . 0.0 110.977 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 16.4 mt -128.41 150.42 50.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 2.6 tmm_? -84.62 135.01 34.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.337 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.558 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 26.4 p-10 -111.67 146.03 38.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.446 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.8 -29.24 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.416 1.072 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -78.96 33.38 0.22 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.453 0.737 . . . . 0.0 110.355 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.446 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 37.78 34.36 0.17 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.558 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.52 163.42 15.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.382 0.695 . . . . 0.0 109.239 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -111.92 97.69 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 108.428 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.7 m -113.95 142.37 26.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mp -50.61 156.98 1.38 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.634 1.209 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.477 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.1 Cg_endo -75.07 -29.84 7.7 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.594 1.839 . . . . 0.0 110.962 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.21 -7.14 53.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.08 0.02 18.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 N--CA 1.449 -0.523 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 59.91 55.96 3.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.169 . . . . 0.0 110.367 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.3 m -121.85 170.42 9.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 108.246 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.06 -170.21 44.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.136 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.96 128.93 11.91 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.503 1.791 . . . . 0.0 110.959 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.573 ' HB3' ' CD2' ' A' ' 42' ' ' PHE . 3.0 m120 82.93 0.81 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -101.58 155.23 18.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.475 HG11 ' CG ' ' A' ' 39' ' ' GLN . 19.6 m -149.28 140.47 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.517 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 2.1 t80 -89.33 127.62 35.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.444 ' ND2' ' CD ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -128.93 129.03 44.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.374 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.46 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 1.0 OUTLIER -76.86 -5.63 49.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 -179.896 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.516 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 1.9 t -151.91 73.44 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 108.389 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.48 -155.55 24.42 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.532 1.145 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.22 111.06 22.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 0.728 . . . . 0.0 109.98 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.488 ' CA ' ' HB2' ' A' ' 33' ' ' ARG . . . -56.95 -31.45 65.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.37 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -115.37 38.31 3.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 108.29 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.72 169.92 0.23 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.591 1.182 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.486 ' O ' ' CG2' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.02 168.37 24.98 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 110.977 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.486 ' CG2' ' O ' ' A' ' 18' ' ' PRO . 19.2 p -157.45 177.66 11.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 110.418 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.405 ' N ' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -58.23 -19.82 36.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.287 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.22 -44.67 8.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -115.42 88.9 20.17 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.322 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 1.43 7.69 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.9 114.97 22.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.601 1.188 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.5 m -42.17 163.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.462 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 27' ' ' ILE . 6.9 tpm_? -168.02 81.1 0.18 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.514 1.134 . . . . 0.0 110.396 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 26' ' ' ARG . 4.1 mm -37.6 154.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.411 ' N ' HG21 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -112.51 -33.8 6.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 108.317 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.4 t -166.28 -163.52 0.61 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.49 1.119 . . . . 0.0 110.35 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.27 42.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.068 . . . . 0.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -143.31 140.59 30.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.516 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 11.1 m -71.49 -179.42 2.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 108.305 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.488 ' HB2' ' CA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -128.42 118.63 23.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.095 . . . . 0.0 110.275 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.46 ' CG2' ' HA ' ' A' ' 11' ' ' THR . 1.4 mt -90.64 118.17 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.68 174.92 26.1 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.549 1.156 . . . . 0.0 111.05 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 86.2 m -76.6 140.64 41.11 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.444 ' CD ' ' ND2' ' A' ' 10' ' ' ASN . 14.6 pt20 -134.47 -169.65 2.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.0 m -99.33 121.95 41.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 108.284 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.56 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 42.6 mt-30 -50.78 165.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -66.7 101.27 0.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.95 2.07 7.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 6' ' ' ASN . 41.2 m-85 -125.85 154.62 42.42 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.516 0.774 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.52 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 54.2 mt -129.98 140.53 50.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.563 1.164 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.26 134.44 39.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.294 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.563 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 18.9 p-10 -107.34 146.97 30.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -34.28 -30.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 45' ' ' ASN . 1.6 tt0 -80.63 34.21 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 110.294 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 36.68 36.64 0.17 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.37 1.044 . . . . 0.0 111.005 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.563 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -120.44 130.27 54.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.765 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.5 m -84.74 101.2 12.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 108.253 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.4 m -118.47 145.98 23.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.46 156.82 2.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.52 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.6 Cg_endo -74.96 -29.79 7.92 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.42 1.748 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.01 -6.85 51.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.39 0.12 16.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.45 -0.459 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.425 ' N ' ' OE1' ' A' ' 7' ' ' GLU . . . -107.29 -169.84 22.12 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.459 1.1 . . . . 0.0 111.041 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.98 127.88 11.05 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 3.0 m120 83.32 1.89 1.03 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.612 1.195 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 4' ' ' GLY . 19.1 mt-10 -103.03 156.74 17.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.642 HG13 ' CG ' ' A' ' 39' ' ' GLN . 21.9 m -143.2 150.36 17.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.448 1.092 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.5 t80 -102.42 127.57 49.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -128.63 133.68 48.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . 1.013 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.2 p -83.81 4.22 30.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.513 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.6 OUTLIER -166.61 80.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 108.276 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -124.6 162.48 18.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.107 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.04 107.38 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.43 0.724 . . . . 0.0 109.994 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.441 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -59.85 -34.92 73.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.6 32.67 4.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 108.255 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.403 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -42.0 161.17 0.16 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.464 ' CD ' ' HB ' ' A' ' 25' ' ' THR . 18.2 Cg_endo -75.0 163.06 36.1 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.406 ' CG2' ' C ' ' A' ' 18' ' ' PRO . 44.2 p -150.73 -170.09 3.56 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.424 1.077 . . . . 0.0 110.381 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -22.08 65.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.371 1.044 . . . . 0.0 108.242 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.25 -52.82 5.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -113.84 95.8 38.88 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 1.15 8.06 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.483 1.781 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.54 113.72 16.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.464 ' HB ' ' CD ' ' A' ' 18' ' ' PRO . 15.3 t -97.83 174.35 6.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.184 . . . . 0.0 110.489 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -175.49 46.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.393 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.403 ' O ' ' O ' ' A' ' 26' ' ' ARG . 1.3 mp 58.11 160.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.08 -33.3 6.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 108.305 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.441 ' OG1' ' N ' ' A' ' 30' ' ' MET . 1.3 t -179.4 174.25 1.02 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.448 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.441 ' N ' ' OG1' ' A' ' 29' ' ' THR . 0.8 OUTLIER -68.55 71.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 174.67 112.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.433 1.083 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.513 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 5.4 m -54.45 178.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 108.291 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.441 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -128.86 127.18 41.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.013 HG23 ' HA ' ' A' ' 11' ' ' THR . 2.3 mt -93.4 118.21 38.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.81 179.86 36.74 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.432 ' O ' ' NH2' ' A' ' 33' ' ' ARG . 86.9 m -82.16 149.96 27.67 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -141.1 177.72 7.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 44' ' ' ARG . 58.0 m -90.54 130.6 36.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 108.284 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.642 ' CG ' HG13 ' A' ' 8' ' ' VAL . 47.8 mt-30 -67.59 169.52 9.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.57 103.9 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.4 3.28 8.01 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.465 1.103 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 6' ' ' ASN . 28.3 m-85 -132.71 151.55 51.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.523 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 73.0 mt -128.3 140.11 52.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.366 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.402 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 4.0 ttm180 -80.5 130.51 35.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.556 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 14.0 p-10 -99.92 149.9 22.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -33.98 -32.12 0.02 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.548 1.155 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 45' ' ' ASN . 2.2 tt0 -83.37 35.89 0.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.559 0.799 . . . . 0.0 110.322 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 36.74 37.04 0.19 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.542 1.151 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.556 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -114.36 123.74 50.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.8 m -80.95 95.18 6.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 108.317 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.1 m -113.64 144.12 21.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.19 156.67 0.96 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.523 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.07 -30.26 7.26 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.456 1.766 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.47 -6.13 48.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.22 0.72 16.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.813 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.64 -173.17 41.28 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.507 1.129 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.3 Cg_endo -74.96 127.44 10.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.576 1.829 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.567 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 8.1 m-20 83.34 2.07 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -106.26 164.23 12.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.684 HG13 ' CG ' ' A' ' 39' ' ' GLN . 3.1 m -142.64 179.31 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.44 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.6 t80 -130.5 135.03 47.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.945 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.44 129.3 41.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.61 1.194 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . 1.027 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.2 p -82.04 -9.81 59.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.456 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.507 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 2.1 t -149.95 73.45 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 108.236 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.52 -164.05 22.61 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.45 1.094 . . . . 0.0 111.013 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.56 121.31 37.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 0.0 110.025 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.596 ' HB3' ' HB3' ' A' ' 28' ' ' CYS . . . -60.86 -21.93 63.74 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.0 m -119.01 38.1 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 108.273 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.483 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -44.53 164.01 0.18 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.208 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.483 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.5 Cg_endo -75.07 150.9 38.54 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.592 1.838 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.8 p -137.48 -166.99 2.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 110.45 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -28.76 67.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 108.285 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.23 -65.34 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.371 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.481 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 5.6 mt-30 -110.26 98.91 37.87 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.476 ' HB3' HD11 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.07 2.21 6.91 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.99 115.96 20.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.4 m -40.99 161.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.369 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -152.6 39.65 0.56 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.567 1.167 . . . . 0.0 110.361 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.524 HG22 ' N ' ' A' ' 28' ' ' CYS . 4.0 mp 54.32 167.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.24 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.596 ' HB3' ' HB3' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -147.1 -47.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 108.378 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.6 t -174.41 -171.75 0.61 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.453 ' O ' ' CB ' ' A' ' 31' ' ' GLN . 1.8 mtt -88.41 78.82 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.453 ' CB ' ' O ' ' A' ' 30' ' ' MET . 0.9 OUTLIER 164.35 161.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.404 1.065 . . . . 0.0 110.347 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.507 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 4.0 m -86.9 -178.67 6.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 108.26 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.489 ' C ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -133.89 119.89 19.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.339 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.027 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.6 OUTLIER -91.23 117.38 34.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.61 176.13 38.05 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.447 1.092 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 98.1 m -83.86 148.59 26.89 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -135.54 -177.09 4.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 65.8 m -93.54 131.09 39.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 108.306 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.684 ' CG ' HG13 ' A' ' 8' ' ' VAL . 29.5 mt-30 -66.33 168.42 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -62.5 103.72 0.44 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.4 ' O ' HD23 ' A' ' 52' ' ' LEU . . . 124.16 3.03 8.28 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.529 1.143 . . . . 0.0 111.05 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 28.0 m-85 -133.14 154.47 50.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 0.731 . . . . 0.0 111.055 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.485 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 55.9 mt -129.46 149.95 51.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.455 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -84.66 133.99 34.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.563 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 27.4 p-10 -108.69 146.29 33.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.248 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.461 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.92 -29.02 0.02 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.583 1.177 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.4 OUTLIER -78.96 32.22 0.21 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 0.79 . . . . 0.0 110.233 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.461 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.96 34.15 0.27 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.563 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.61 163.4 15.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.4 m -111.53 100.89 9.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.102 . . . . 0.0 108.324 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.9 m -115.86 141.9 31.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.402 1.064 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 41' ' ' GLY . 0.7 OUTLIER -51.28 156.96 1.75 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.485 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 17.9 Cg_endo -75.04 -29.89 7.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.391 1.732 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -75.21 -6.42 49.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.344 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.23 0.74 16.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.881 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.6 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.401 ' N ' ' OE1' ' A' ' 7' ' ' GLU . . . -100.18 -172.27 29.88 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.522 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.4 Cg_endo -74.98 126.5 10.02 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.574 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 6.1 m-20 83.57 1.8 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.211 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.401 ' OE1' ' N ' ' A' ' 4' ' ' GLY . 24.0 mt-10 -101.61 158.03 16.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 0.0 110.371 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.669 HG13 ' CG ' ' A' ' 39' ' ' GLN . 8.4 m -145.37 152.38 14.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.492 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 0.8 OUTLIER -106.12 129.6 54.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 111.042 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.429 ' OD1' ' CD ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -132.53 131.86 42.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.591 1.182 . . . . 0.0 109.256 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.991 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.2 p -77.98 -4.77 48.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.495 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.51 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 1.0 OUTLIER -153.55 76.91 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 108.333 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.24 176.46 21.82 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.477 1.111 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.91 108.24 5.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 109.999 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.76 -30.49 61.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.608 1.193 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.71 35.78 3.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.237 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.501 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -49.47 164.9 0.3 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 0.0 109.353 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.501 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.5 Cg_endo -74.92 163.16 36.03 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.547 1.814 . . . . 0.0 111.078 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.435 HG23 ' C ' ' A' ' 18' ' ' PRO . 76.2 p -151.88 176.88 11.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.369 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -21.11 12.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 108.352 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.9 -53.42 4.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -113.92 96.39 41.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.74 8.55 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.496 1.787 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -126.45 116.12 20.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.455 ' HB ' ' CD ' ' A' ' 18' ' ' PRO . 7.5 t -99.54 174.92 6.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.435 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.551 ' C ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -175.36 48.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.381 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.551 HD12 ' C ' ' A' ' 26' ' ' ARG . 3.2 mp 57.46 161.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.94 -35.1 6.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 108.345 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.6 t -174.74 -163.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.388 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 ttt -82.91 76.89 9.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 169.21 160.15 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.072 . . . . 0.0 110.354 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.51 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 6.0 m -98.8 -177.28 3.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.488 1.118 . . . . 0.0 108.238 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.474 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -134.18 118.43 17.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.322 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.991 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -85.98 118.45 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.4 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.79 178.95 36.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.492 ' SG ' ' CD2' ' A' ' 9' ' ' PHE . 95.4 m -87.68 138.9 31.06 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.429 ' CD ' ' OD1' ' A' ' 10' ' ' ASN . 12.6 pt20 -127.24 -176.87 3.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 44' ' ' ARG . 59.1 m -93.4 121.18 34.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.426 1.079 . . . . 0.0 108.296 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.669 ' CG ' HG13 ' A' ' 8' ' ' VAL . 39.7 mt-30 -54.18 168.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.317 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -64.84 104.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.416 ' O ' HD23 ' A' ' 52' ' ' LEU . . . 125.06 2.37 7.79 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.432 1.082 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.633 ' O ' HD23 ' A' ' 43' ' ' LEU . 22.9 m-85 -133.15 151.53 51.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 0.75 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.633 HD23 ' O ' ' A' ' 42' ' ' PHE . 30.9 mt -129.57 142.95 50.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.457 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 0.8 OUTLIER -81.07 130.44 35.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' GLY . 15.8 p-10 -96.36 151.69 19.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -33.68 -32.61 0.02 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.473 1.108 . . . . 0.0 111.081 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 45' ' ' ASN . 1.4 tt0 -84.57 36.12 0.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 0.723 . . . . 0.0 110.371 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 36.87 38.1 0.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.436 1.085 . . . . 0.0 111.034 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.472 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -113.4 121.55 44.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.2 m -78.69 95.23 5.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.603 1.189 . . . . 0.0 108.365 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.5 m -115.43 145.86 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.438 ' HG ' ' CD2' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -53.97 156.98 4.62 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.52 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.7 Cg_endo -75.03 -29.83 7.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.78 . . . . 0.0 110.982 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -75.05 -6.14 47.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 110.297 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.23 0.18 15.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.449 -0.522 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.423 ' SG ' ' C ' ' A' ' 8' ' ' VAL . 3.5 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.63 -168.47 20.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.106 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.528 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.97 130.42 13.29 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.509 1.794 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.573 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.3 m-20 83.73 0.88 1.02 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -105.85 165.42 11.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.435 1.084 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.68 HG13 ' CG ' ' A' ' 39' ' ' GLN . 1.4 m -142.41 175.22 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.429 ' CD1' ' SG ' ' A' ' 36' ' ' CYS . 1.6 t80 -122.67 131.93 54.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.528 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -127.41 123.75 36.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.959 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.1 p -79.05 -20.33 49.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.495 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -144.4 79.85 1.62 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 108.291 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -106.92 175.68 20.83 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.517 1.136 . . . . 0.0 110.949 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.9 123.45 18.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.43 0.724 . . . . 0.0 110.017 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.23 -24.19 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.634 1.209 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' O ' ' O ' ' A' ' 17' ' ' ALA . 2.1 m -136.89 53.96 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 108.235 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.583 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -44.47 167.69 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.583 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.4 Cg_endo -74.95 156.79 43.22 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 18' ' ' PRO . 21.1 p -157.44 -171.15 3.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -28.33 69.93 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.437 1.085 . . . . 0.0 108.27 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.75 -41.16 19.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -124.67 90.29 51.14 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.368 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 1.29 7.89 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.507 1.793 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.93 113.5 16.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.9 m -38.72 142.35 0.21 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.55 1.156 . . . . 0.0 110.377 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -155.38 94.7 1.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.291 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.453 ' H ' HD12 ' A' ' 27' ' ' ILE . 2.6 mp -45.08 160.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -123.78 -43.91 2.11 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 124.427 1.079 . . . . 0.0 108.322 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.3 t -155.66 178.67 9.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.57 80.7 9.15 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.548 1.155 . . . . 0.0 111.025 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 176.07 149.86 0.12 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.614 1.196 . . . . 0.0 110.387 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.495 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.2 m -93.46 169.7 10.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 108.34 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.56 HH21 ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -131.63 128.8 39.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 110.338 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.959 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.9 OUTLIER -89.78 121.73 40.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.606 1.191 . . . . 0.0 109.238 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.21 167.43 30.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.454 1.097 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 93.9 m -78.17 146.97 34.73 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.528 ' NE2' ' HB2' ' A' ' 10' ' ' ASN . 1.0 OUTLIER -134.19 -176.31 4.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.408 ' SG ' ' C ' ' A' ' 43' ' ' LEU . 55.1 m -95.02 128.35 41.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.302 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.68 ' CG ' HG13 ' A' ' 8' ' ' VAL . 30.7 mt-30 -63.67 174.77 1.26 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 110.35 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -66.42 104.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 110.262 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.765 ' O ' HD23 ' A' ' 52' ' ' LEU . . . 124.34 -2.5 8.92 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.527 1.142 . . . . 0.0 111.079 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 8.8 m-85 -129.96 152.61 49.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 0.731 . . . . 0.0 111.102 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 42' ' ' PHE . 17.0 mt -130.57 147.11 52.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.61 1.194 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 4.4 ttp180 -81.73 133.83 35.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.24 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.555 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 27.6 p-10 -109.55 146.47 34.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.352 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.467 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.57 -29.04 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ASN . 2.0 tt0 -79.01 32.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.6 33.74 0.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.594 1.184 . . . . 0.0 111.054 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.555 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.63 160.56 19.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 0.802 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.5 m -108.53 98.31 7.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 108.316 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.8 m -115.1 143.45 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.765 HD23 ' O ' ' A' ' 41' ' ' GLY . 1.0 OUTLIER -50.07 156.55 1.32 Allowed Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.473 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 17.8 Cg_endo -75.15 -29.69 7.74 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -75.29 -7.13 53.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.087 . . . . 0.0 110.181 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -110.55 -0.22 17.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.6 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.13 176.26 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.6 Cg_endo -74.86 126.17 9.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.77 . . . . 0.0 111.09 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.574 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 6.4 m-20 82.04 4.54 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.077 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -103.13 159.74 15.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.714 HG13 ' CG ' ' A' ' 39' ' ' GLN . 16.1 m -144.64 150.23 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.602 1.189 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -99.74 126.25 45.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 111.085 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.523 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 2.9 m-80 -124.75 131.72 53.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.962 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -83.51 6.04 21.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.585 1.178 . . . . 0.0 110.362 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.5 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -170.7 77.87 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 108.342 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.26 176.09 16.19 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.556 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 10.8 p -64.46 108.0 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 0.79 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.08 -32.19 54.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 m -114.4 41.92 2.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 108.322 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.715 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -47.19 172.53 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.715 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.4 Cg_endo -74.99 149.68 37.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.3 p -137.01 169.86 17.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -23.93 21.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 108.265 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.25 -42.94 11.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.575 1.172 . . . . 0.0 109.227 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -119.31 80.27 20.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.407 1.067 . . . . 0.0 110.31 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.47 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.92 62.82 5.86 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.75 140.76 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.599 1.187 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 m -66.68 152.12 46.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.411 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.07 87.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mp -40.77 160.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -126.64 -44.81 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 108.305 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.0 p -132.66 -176.69 4.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 110.379 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -94.71 37.55 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.68 171.49 14.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.5 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 5.1 m -98.28 -179.68 4.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 108.317 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.38 119.74 22.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.962 HG23 ' HA ' ' A' ' 11' ' ' THR . 4.1 mt -88.69 120.19 37.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.03 176.75 31.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.592 1.182 . . . . 0.0 110.972 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.9 m -78.53 147.43 33.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.523 ' NE2' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -139.33 -179.2 5.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 44' ' ' ARG . 33.8 m -90.67 126.07 35.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 108.282 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.714 ' CG ' HG13 ' A' ' 8' ' ' VAL . 39.5 mt-30 -61.29 168.85 2.43 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.544 1.153 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -64.28 102.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.05 -0.39 6.6 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.43 1.081 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.892 ' O ' HD23 ' A' ' 43' ' ' LEU . 28.2 m-85 -129.95 154.33 47.47 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.477 0.751 . . . . 0.0 110.951 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.892 HD23 ' O ' ' A' ' 42' ' ' PHE . 25.8 mt -132.1 140.23 48.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.441 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 3.3 ttt180 -79.23 130.29 35.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.543 ' O ' ' N ' ' A' ' 48' ' ' GLY . 24.1 p-10 -95.06 152.31 18.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -34.32 -32.06 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.617 1.198 . . . . 0.0 110.96 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -84.82 35.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 0.789 . . . . 0.0 110.288 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 37.88 38.33 0.5 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 0.0 110.951 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.49 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -113.32 120.21 40.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 0.74 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.7 m -77.8 96.12 4.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.108 . . . . 0.0 108.311 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.6 m -118.5 146.87 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.466 ' HG ' ' CD2' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -54.57 156.74 5.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.476 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.2 Cg_endo -74.99 -29.67 7.98 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -75.43 -5.97 47.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -111.85 0.26 16.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.573 1.171 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.1 m . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.93 176.09 0.12 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.57 1.169 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.517 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.4 Cg_endo -74.96 125.84 9.61 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.47 1.774 . . . . 0.0 110.998 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 6.0 m-20 82.8 4.75 0.98 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -104.63 158.04 16.77 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.577 1.173 . . . . 0.0 110.308 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.755 HG13 ' CG ' ' A' ' 39' ' ' GLN . 18.4 m -142.61 154.19 17.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.076 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 2.1 t80 -102.63 127.98 49.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.476 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 3.0 m-80 -128.19 138.46 52.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.197 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.834 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -89.25 12.84 14.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 0.0 110.393 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.501 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -178.09 78.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.603 1.19 . . . . 0.0 108.287 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.429 ' O ' ' CG ' ' A' ' 33' ' ' ARG . . . -109.81 165.64 12.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.56 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -45.91 103.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.77 . . . . 0.0 110.017 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.92 -36.93 3.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m -122.1 51.25 1.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 108.253 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.614 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -53.09 168.52 0.34 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.614 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.3 Cg_endo -74.95 157.86 42.73 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.464 1.77 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.0 p -142.16 -176.39 4.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.382 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.6 -28.97 69.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 108.247 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.17 -45.84 14.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.382 1.052 . . . . 0.0 109.344 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -116.86 80.62 11.21 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.469 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.01 62.67 5.91 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.797 . . . . 0.0 111.065 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.3 pttt -179.02 122.36 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.402 1.063 . . . . 0.0 109.353 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 m -42.34 159.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.377 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.26 85.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -44.84 160.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -125.91 -45.58 1.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 108.326 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 30' ' ' MET . 8.8 t -153.33 -171.39 3.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.436 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.408 ' N ' ' OG1' ' A' ' 29' ' ' THR . 3.0 ttm -90.87 51.57 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -145.57 165.94 27.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.501 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 6.2 m -112.84 178.12 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 108.314 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.443 ' NH1' ' O ' ' A' ' 14' ' ' SER . 0.6 OUTLIER -123.79 126.69 46.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.834 HG23 ' HA ' ' A' ' 11' ' ' THR . 1.0 OUTLIER -96.35 116.26 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.88 -177.1 33.15 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.436 1.085 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 66.6 m -78.51 152.53 31.95 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.476 ' NE2' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -144.14 -178.16 5.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.292 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 61.7 m -91.63 125.81 36.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 108.288 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.755 ' CG ' HG13 ' A' ' 8' ' ' VAL . 26.8 mt-30 -61.85 168.81 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -64.51 102.72 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 110.321 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.06 0.58 6.97 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.45 1.094 . . . . 0.0 111.032 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.754 ' O ' HD23 ' A' ' 43' ' ' LEU . 28.7 m-85 -129.8 153.09 48.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 111.017 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.754 HD23 ' O ' ' A' ' 42' ' ' PHE . 54.3 mt -130.49 138.11 50.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -78.22 130.49 36.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.387 1.054 . . . . 0.0 110.377 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' GLY . 18.8 p-10 -97.53 150.9 20.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -34.14 -31.94 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.555 1.16 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -83.54 34.97 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.594 0.82 . . . . 0.0 110.312 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 37.5 38.09 0.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.602 1.189 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.523 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -114.83 122.42 46.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.535 0.785 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 19.5 m -79.01 96.04 5.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 108.258 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.3 m -116.79 145.43 22.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.698 ' H ' HD12 ' A' ' 52' ' ' LEU . 3.9 mp -52.13 157.23 2.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.523 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.07 -29.34 8.22 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.573 1.828 . . . . 0.0 110.983 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -75.02 -7.48 53.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.345 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -111.14 0.9 17.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.105 . . . . 0.0 109.237 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.423 ' SG ' ' C ' ' A' ' 8' ' ' VAL . 2.6 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.35 -161.23 34.15 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.525 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.4 Cg_endo -75.02 128.74 11.71 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.559 1.82 . . . . 0.0 110.999 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 6.3 m-20 84.8 -0.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -107.81 156.26 19.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.361 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.715 HG13 ' CG ' ' A' ' 39' ' ' GLN . 18.0 m -140.12 160.63 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.417 ' HB2' ' SG ' ' A' ' 3' ' ' CYS . 2.3 t80 -108.8 129.96 55.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.616 1.197 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.5 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -127.72 127.4 43.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.975 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.1 p -79.33 -13.12 59.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.565 1.166 . . . . 0.0 110.422 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.501 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -150.93 80.51 1.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 108.321 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.8 -179.19 19.57 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.479 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 1.7 p -70.73 111.07 5.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.421 0.718 . . . . 0.0 110.013 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.541 ' HB3' ' HB2' ' A' ' 28' ' ' CYS . . . -58.64 -17.94 26.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -123.99 31.96 5.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 108.322 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -43.93 164.95 0.14 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.505 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.1 Cg_endo -75.0 160.0 40.68 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.444 1.76 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.447 HG23 ' C ' ' A' ' 18' ' ' PRO . 68.7 p -152.23 -173.5 4.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.348 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -20.74 66.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.582 1.177 . . . . 0.0 108.34 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.2 -47.02 8.06 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -119.07 96.27 49.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.93 8.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.439 1.758 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.95 115.34 17.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.47 ' HB ' ' CD ' ' A' ' 18' ' ' PRO . 9.3 t -96.25 173.85 7.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 110.404 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.493 ' C ' HD12 ' A' ' 27' ' ' ILE . 4.9 tmm_? -175.58 48.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.493 HD12 ' C ' ' A' ' 26' ' ' ARG . 2.1 mp 58.03 160.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.541 ' HB2' ' HB3' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -111.42 -34.16 6.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 108.328 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.7 t -172.43 -172.41 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.471 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.76 61.92 1.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 111.068 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -174.96 169.71 3.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.501 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 4.3 m -107.56 176.06 5.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.595 1.185 . . . . 0.0 108.256 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.425 ' NH1' ' HB2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -127.88 128.49 45.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.975 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -95.73 117.24 39.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.364 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.25 175.78 36.21 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 87.9 m -80.52 151.2 29.31 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.5 ' NE2' ' HB2' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -141.37 179.45 6.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.361 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 89.6 m -90.55 133.47 35.06 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.543 1.152 . . . . 0.0 108.321 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.715 ' CG ' HG13 ' A' ' 8' ' ' VAL . 36.7 mt-30 -73.17 176.1 6.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -66.33 103.48 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.184 . . . . 0.0 110.222 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.89 -0.44 8.41 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 6' ' ' ASN . 14.4 m-85 -131.94 151.84 51.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 0.794 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.482 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 23.6 mt -128.56 150.19 50.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 1.3 tpt180 -84.62 136.29 33.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.544 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 27.1 p-10 -112.62 146.18 39.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.461 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.68 -29.2 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.453 1.096 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.3 OUTLIER -78.69 33.17 0.2 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 0.792 . . . . 0.0 110.321 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.461 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 37.92 33.43 0.15 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.544 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -114.61 165.36 12.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 0.768 . . . . 0.0 109.356 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.4 m -114.27 99.33 7.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 108.294 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.3 m -114.43 143.02 25.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.65 ' H ' HD12 ' A' ' 52' ' ' LEU . 4.1 mp -50.53 156.9 1.38 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.482 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.5 Cg_endo -75.02 -29.16 8.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.466 1.772 . . . . 0.0 110.947 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.22 -8.06 55.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -109.95 -0.03 18.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 109.342 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.2 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.43 178.51 1.52 Allowed Glycine 0 CA--C 1.532 1.107 0 O-C-N 124.51 1.131 . . . . 0.0 110.939 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.99 127.3 10.58 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.539 1.81 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 7.2 m-20 83.25 3.29 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.599 1.187 . . . . 0.0 109.284 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -107.4 158.22 17.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 110.352 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.744 HG13 ' CG ' ' A' ' 39' ' ' GLN . 24.5 m -140.74 160.93 24.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -107.4 127.7 53.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.53 1.144 . . . . 0.0 111.062 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -127.61 130.45 49.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.991 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -78.5 -12.67 60.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.394 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.504 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -150.65 79.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 108.249 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.52 176.84 20.4 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.524 1.14 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.417 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 1.7 p -69.69 108.35 3.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.389 0.699 . . . . 0.0 110.001 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.16 -34.07 21.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -115.2 44.08 1.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 108.265 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.715 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -49.73 171.96 0.11 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.715 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.1 Cg_endo -75.01 161.82 38.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.552 1.817 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.508 HG23 ' C ' ' A' ' 18' ' ' PRO . 32.2 p -156.93 179.56 9.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -26.65 50.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 108.332 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.32 -48.88 9.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -115.28 91.57 28.63 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.174 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 1.2 7.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.57 1.826 . . . . 0.0 111.029 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.77 -172.17 2.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.9 m -102.64 140.51 36.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.78 86.45 1.12 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -43.68 159.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.202 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.83 -42.99 2.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.281 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.3 t -168.56 177.86 5.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.36 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.5 mtt -85.63 67.02 9.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.94 125.99 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.504 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.8 m -73.03 175.61 6.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 108.283 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.496 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -130.19 122.18 27.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.354 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.991 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -88.93 117.21 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.87 178.23 35.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.475 1.11 . . . . 0.0 110.974 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 64.4 m -79.15 149.46 31.99 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -141.23 -178.74 5.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.5 m -89.89 131.3 35.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 108.253 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.744 ' CG ' HG13 ' A' ' 8' ' ' VAL . 30.5 mt-30 -68.01 168.72 11.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.265 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -63.86 103.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.083 . . . . 0.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.69 0.36 7.22 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.377 1.048 . . . . 0.0 111.027 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.744 ' O ' HD23 ' A' ' 43' ' ' LEU . 33.9 m-85 -129.18 153.28 47.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.744 HD23 ' O ' ' A' ' 42' ' ' PHE . 55.2 mt -130.47 137.81 49.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.388 1.055 . . . . 0.0 109.363 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -78.99 129.21 34.21 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.557 1.161 . . . . 0.0 110.225 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.543 ' O ' ' N ' ' A' ' 48' ' ' GLY . 23.3 p-10 -94.74 151.86 18.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -34.02 -32.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.409 1.068 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 45' ' ' ASN . 5.1 tt0 -84.43 35.8 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 0.745 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 37.23 37.88 0.33 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.481 1.113 . . . . 0.0 111.057 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.505 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -112.48 120.61 42.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.2 m -78.03 95.72 4.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 108.377 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.4 m -117.77 145.49 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.356 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.23 156.92 2.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.512 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.96 -30.21 7.47 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.479 1.778 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -75.01 -6.65 50.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.378 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.22 0.41 16.76 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.45 -0.463 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.863 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.7 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.53 177.11 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.96 126.39 9.96 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.549 1.815 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 5.9 m-20 83.26 3.43 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.4 ' HG2' ' SG ' ' A' ' 50' ' ' CYS . 27.9 mt-10 -103.9 156.52 17.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 m -140.06 152.58 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.4 t80 -103.04 127.04 50.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.419 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 6.4 m120 -125.24 129.97 51.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 1.029 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -79.28 -6.5 56.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.445 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.515 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 1.7 t -148.93 75.4 1.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.145 . . . . 0.0 108.278 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.64 -152.92 25.47 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.528 1.142 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.01 121.54 45.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.929 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.72 -26.58 67.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 17' ' ' ALA . 17.1 m -123.06 35.58 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.376 1.047 . . . . 0.0 108.302 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.588 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -44.97 168.18 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.359 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.588 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.0 Cg_endo -75.04 157.22 42.74 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.46 1.768 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 18' ' ' PRO . 19.4 p -157.8 -172.92 4.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.427 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -19.68 49.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 108.254 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.98 -49.56 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.443 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 2.8 mp0 -118.89 91.67 43.36 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 110.264 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 2.09 7.02 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 25' ' ' THR . 6.2 pttm -127.35 117.4 22.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.075 . . . . 0.0 109.233 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 24' ' ' LYS . 22.8 m -38.9 158.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.365 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -169.61 88.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 110.334 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 26' ' ' ARG . 2.5 mp -41.17 161.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.402 ' N ' HG22 ' A' ' 27' ' ' ILE . 1.1 m -129.52 -46.65 1.18 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.437 1.086 . . . . 0.0 108.318 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.7 t -151.32 -174.67 4.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.481 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.68 87.48 5.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 170.22 137.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.515 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 9.0 m -73.28 176.88 5.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.637 1.21 . . . . 0.0 108.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.505 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -126.35 116.1 20.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.601 1.188 . . . . 0.0 110.324 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.029 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -87.81 119.03 34.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.52 176.74 32.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 59.8 m -78.19 152.39 32.69 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.419 ' NE2' ' HB2' ' A' ' 10' ' ' ASN . 1.1 pt20 -142.04 -179.29 6.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 95.1 m -93.58 132.21 38.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 108.285 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -69.53 171.96 8.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.252 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -64.57 103.52 0.68 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 110.262 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.97 -3.47 7.93 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 6' ' ' ASN . 17.9 m-85 -127.46 153.03 46.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 0.744 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.483 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 16.7 mt -128.83 150.12 50.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.442 1.089 . . . . 0.0 109.344 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.44 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 4.3 ttp85 -85.26 134.21 34.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 110.392 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.542 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 26.0 p-10 -110.75 146.17 36.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.56 -29.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.5 OUTLIER -78.94 33.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 110.308 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.09 33.13 0.15 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.542 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -113.97 163.01 15.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.418 0.716 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.4 ' SG ' ' HG2' ' A' ' 7' ' ' GLU . 1.4 m -111.85 98.52 7.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.184 . . . . 0.0 108.328 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.9 m -114.59 142.65 26.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.85 156.77 1.54 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.483 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.1 Cg_endo -74.99 -29.9 7.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -75.63 -6.43 50.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 110.335 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.17 -0.67 17.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.376 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.2 t . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.85 -173.23 44.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.073 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 17.8 Cg_endo -75.0 126.41 9.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 111.019 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.568 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.3 m-20 81.92 3.33 1.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -109.57 160.82 15.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.339 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.639 HG13 ' CG ' ' A' ' 39' ' ' GLN . 4.6 m -141.79 177.74 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.5 t80 -125.31 132.21 52.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.031 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.403 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 1.0 OUTLIER -132.41 133.93 44.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.975 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.1 p -81.1 -34.05 32.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.425 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.519 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 1.0 OUTLIER -131.5 77.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 108.259 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.84 169.61 13.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.44 1.088 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.496 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 1.8 p -48.89 103.76 0.05 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.577 0.81 . . . . 0.0 110.032 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.433 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -41.05 -30.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.434 ' N ' ' C ' ' A' ' 14' ' ' SER . 3.6 m -131.81 59.71 1.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.584 1.177 . . . . 0.0 108.279 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.619 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -53.57 168.81 0.36 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.619 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.5 Cg_endo -75.01 157.66 42.62 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.8 p -144.81 -173.34 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.435 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.13 -20.38 65.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 108.235 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.51 -46.29 7.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.434 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 8.9 mm-40 -118.41 87.86 31.88 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 110.259 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 1.46 7.71 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.539 1.81 . . . . 0.0 111.063 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' THR . 3.5 mttm -120.43 114.93 22.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' LYS . 16.6 m -38.38 156.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -166.38 90.38 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.583 1.177 . . . . 0.0 110.284 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.408 ' H ' HD12 ' A' ' 27' ' ' ILE . 2.6 mp -40.6 159.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.401 1.063 . . . . 0.0 109.332 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.1 m -124.57 -44.94 1.95 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.446 1.091 . . . . 0.0 108.306 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.6 t -154.31 -177.17 6.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.082 . . . . 0.0 110.405 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.3 ttm -86.63 60.59 6.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.592 1.183 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -160.75 164.51 31.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.519 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.9 m -101.17 179.81 4.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 108.33 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.433 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -129.63 135.28 48.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.373 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.975 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.4 OUTLIER -105.74 121.07 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.19 177.92 31.73 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 95.1 m -80.73 146.17 31.17 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.403 ' NE2' ' HB2' ' A' ' 10' ' ' ASN . 0.4 OUTLIER -134.5 -178.57 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 44' ' ' ARG . 66.8 m -91.13 125.16 35.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 108.343 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.639 ' CG ' HG13 ' A' ' 8' ' ' VAL . 41.9 mt-30 -56.87 166.93 0.87 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.593 1.183 . . . . 0.0 110.251 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -63.97 103.11 0.55 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.86 2.01 7.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.718 ' O ' HD23 ' A' ' 43' ' ' LEU . 37.9 m-85 -130.95 153.81 48.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 0.784 . . . . 0.0 111.056 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 42' ' ' PHE . 66.8 mt -131.51 139.41 49.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.386 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.451 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 3.3 ttm180 -78.7 131.66 36.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 18.2 p-10 -99.4 150.51 22.09 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.602 1.189 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -33.86 -32.06 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.588 1.18 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' ' 45' ' ' ASN . 1.0 OUTLIER -83.44 35.63 0.51 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.451 0.736 . . . . 0.0 110.353 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 36.81 37.43 0.23 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.515 1.134 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.54 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -114.83 123.44 49.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.1 m -79.8 97.3 6.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 108.266 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 m -117.58 145.3 23.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.241 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.06 156.77 1.64 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.52 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.04 -30.4 7.14 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.517 1.799 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -75.11 -6.42 49.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.385 1.053 . . . . 0.0 110.362 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -111.54 1.13 16.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.914 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.52 -164.37 38.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.6 Cg_endo -74.92 131.18 14.09 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.771 . . . . 0.0 111.047 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.549 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.0 m-20 83.54 1.18 1.04 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -109.01 160.22 16.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.157 . . . . 0.0 110.243 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.658 HG13 ' CG ' ' A' ' 39' ' ' GLN . 15.7 m -138.41 178.61 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -124.61 130.99 53.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.413 ' O ' ' HA ' ' A' ' 34' ' ' ILE . 1.8 m120 -125.3 120.73 32.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.995 ' HA ' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -82.72 -9.21 59.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 110.431 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.515 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 1.4 t -159.65 74.74 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 108.297 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 14' ' ' SER . . . -116.85 171.92 14.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.541 1.15 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.446 ' C ' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -38.75 106.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 0.78 . . . . 0.0 110.011 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.468 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -40.94 -29.7 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.446 ' N ' ' C ' ' A' ' 14' ' ' SER . 1.6 m -135.18 58.47 1.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.092 . . . . 0.0 108.239 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.597 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -48.93 167.55 0.21 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.597 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.2 Cg_endo -75.11 162.78 36.3 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.504 HG23 ' C ' ' A' ' 18' ' ' PRO . 23.9 p -157.09 -172.77 4.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.367 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.3 -21.8 60.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.322 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.01 -51.74 5.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -115.06 93.25 34.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.331 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.96 8.28 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.54 1.811 . . . . 0.0 110.99 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 25' ' ' THR . 3.7 pttt -126.72 113.4 16.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 24' ' ' LYS . 4.1 m -38.34 150.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 110.431 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -160.2 95.23 1.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.076 . . . . 0.0 110.322 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.403 ' H ' HD12 ' A' ' 27' ' ' ILE . 2.6 mp -40.52 159.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.225 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.06 -43.32 2.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 108.213 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.5 t -161.95 -174.78 4.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.459 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.38 82.39 8.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.959 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 172.23 161.38 0.11 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 110.244 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.515 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.4 m -94.99 176.33 6.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 108.307 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.468 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -129.58 132.77 46.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.995 HG23 ' HA ' ' A' ' 11' ' ' THR . 1.3 mt -100.2 120.45 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.18 166.08 24.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.438 1.086 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 73.3 m -74.76 138.89 42.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.644 ' HG3' HG23 ' A' ' 8' ' ' VAL . 11.9 pt20 -121.15 -179.39 4.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.413 ' SG ' ' C ' ' A' ' 43' ' ' LEU . 63.3 m -97.34 128.4 44.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 108.214 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.658 ' CG ' HG13 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -60.91 173.42 0.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.91 102.28 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.385 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.787 ' O ' HD23 ' A' ' 52' ' ' LEU . . . 125.56 -1.19 8.08 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 16.0 m-85 -129.24 153.0 48.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 14.3 mt -129.62 150.21 51.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.432 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -85.56 132.79 34.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.565 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 29.0 p-10 -109.1 146.55 33.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 109.209 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.466 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -36.47 -28.33 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.559 1.162 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 45' ' ' ASN . 1.3 tt0 -79.03 31.82 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 0.803 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 39.0 34.29 0.29 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.565 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -116.03 160.59 20.08 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.4 m -110.06 97.51 6.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.41 1.069 . . . . 0.0 108.258 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.5 m -115.22 144.02 23.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.787 HD23 ' O ' ' A' ' 41' ' ' GLY . 1.1 mt -49.51 156.5 1.12 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.472 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.0 Cg_endo -75.01 -29.91 7.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -75.28 -7.02 52.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.46 -0.67 17.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.8 m . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.46 -173.35 35.32 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.485 1.116 . . . . 0.0 111.07 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.518 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.3 Cg_endo -74.97 126.42 9.97 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.447 1.762 . . . . 0.0 110.968 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.562 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 2.8 m120 83.11 2.98 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' A' ' 5' ' ' PRO . 1.0 OUTLIER -107.48 163.81 12.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.667 HG13 ' CG ' ' A' ' 39' ' ' GLN . 3.6 m -142.85 177.14 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.496 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.5 t80 -129.14 136.32 50.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.593 1.183 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -135.99 131.82 35.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . 1.005 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.2 p -82.28 -13.64 56.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.595 1.184 . . . . 0.0 110.355 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.498 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -148.14 79.8 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 108.286 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.59 169.31 12.82 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -50.34 107.74 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 0.754 . . . . 0.0 110.037 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.426 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -41.41 -31.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' N ' ' C ' ' A' ' 14' ' ' SER . 1.7 m -133.14 57.87 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 108.259 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.624 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -51.37 168.72 0.25 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.384 1.052 . . . . 0.0 109.204 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.624 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.6 Cg_endo -74.94 159.19 41.88 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.427 1.751 . . . . 0.0 111.098 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.423 HG23 ' C ' ' A' ' 18' ' ' PRO . 40.6 p -151.66 -166.12 2.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 110.357 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -20.44 66.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.432 1.082 . . . . 0.0 108.288 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.41 -51.12 5.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.438 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 17.4 mt-30 -116.17 93.61 39.5 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.358 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.86 1.53 7.56 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.475 1.777 . . . . 0.0 111.03 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' THR . 5.4 mtmm -125.75 116.96 22.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 24' ' ' LYS . 2.5 m -36.73 153.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -161.7 92.01 0.85 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 110.371 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' ARG . 2.1 mp -41.31 161.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -128.51 -45.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 108.284 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.8 t -159.46 163.22 35.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.371 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.478 ' O ' ' CB ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -69.39 90.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 111.081 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 30' ' ' MET . 0.6 OUTLIER 161.85 133.75 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.445 1.091 . . . . 0.0 110.41 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.498 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 4.1 m -68.74 179.07 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 108.379 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.426 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -132.03 132.25 43.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.18 . . . . 0.0 110.262 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.005 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -97.61 118.25 43.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.79 175.78 38.49 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.63 1.206 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.496 ' SG ' ' CD2' ' A' ' 9' ' ' PHE . 99.6 m -85.32 141.92 29.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.507 ' HG3' HG23 ' A' ' 8' ' ' VAL . 12.0 pt20 -125.68 -174.77 3.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.392 1.057 . . . . 0.0 110.338 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 66.2 m -95.95 132.38 41.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 108.255 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.667 ' CG ' HG13 ' A' ' 8' ' ' VAL . 29.5 mt-30 -65.68 168.28 7.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.278 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.93 102.76 0.38 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.086 . . . . 0.0 110.19 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.83 1.37 8.19 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 28.4 m-85 -131.2 153.65 49.23 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.55 0.794 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.485 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 21.2 mt -130.0 148.06 51.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -83.09 135.36 34.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.35 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.555 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 26.1 p-10 -111.8 146.19 38.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.456 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.47 -29.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.2 OUTLIER -79.04 33.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.791 . . . . 0.0 110.349 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 37.53 34.11 0.14 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.401 1.063 . . . . 0.0 111.055 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.555 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.55 161.15 19.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.783 . . . . 0.0 109.28 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 m -110.04 98.94 8.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.623 1.202 . . . . 0.0 108.3 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.3 m -114.22 142.8 25.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.172 . . . . 0.0 109.248 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.48 156.71 1.43 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.413 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.485 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.08 -29.98 7.53 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 110.953 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -75.53 -6.12 48.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.03 0.24 16.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.857 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 9' ' ' PHE . 10.7 m . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.445 ' N ' ' OE1' ' A' ' 7' ' ' GLU . . . -53.5 -169.92 0.03 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.601 1.188 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.5 Cg_endo -74.95 125.94 9.68 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.491 1.785 . . . . 0.0 111.062 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.579 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 3.3 m120 82.44 1.76 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 4' ' ' GLY . 15.8 mt-10 -102.97 157.16 17.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.086 . . . . 0.0 110.321 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.631 HG13 ' CG ' ' A' ' 39' ' ' GLN . 7.5 m -146.04 146.33 19.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.409 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 2.9 t80 -92.31 124.58 36.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 111.031 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.426 ' O ' ' HA ' ' A' ' 34' ' ' ILE . 0.4 OUTLIER -120.83 121.15 37.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.974 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.1 p -75.98 -20.09 58.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.415 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.493 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -146.28 79.67 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 108.233 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.62 173.94 17.42 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.691 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -59.53 105.19 0.33 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 0.738 . . . . 0.0 109.948 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.02 -29.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.45 ' N ' ' C ' ' A' ' 14' ' ' SER . 22.1 m -131.99 58.14 1.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 108.265 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.691 ' HB2' ' OG ' ' A' ' 14' ' ' SER . . . -61.7 169.38 2.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.183 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.643 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.7 Cg_endo -74.89 161.54 38.86 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.394 1.734 . . . . 0.0 111.072 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 18' ' ' PRO . 7.7 p -158.21 -176.15 5.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.41 ' N ' ' HB3' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -55.37 -28.44 53.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 108.254 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.25 -50.07 9.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -115.82 90.88 28.65 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.59 1.181 . . . . 0.0 110.308 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.16 1.37 7.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.468 1.773 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.11 114.18 19.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.589 1.181 . . . . 0.0 109.245 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.7 m -41.49 153.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.28 86.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.469 HD13 ' N ' ' A' ' 27' ' ' ILE . 5.3 mm -44.08 159.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 O-C-N 124.544 1.153 . . . . 0.0 109.259 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.413 ' O ' ' HB ' ' A' ' 29' ' ' THR . 0.9 OUTLIER -114.02 -36.74 4.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 108.274 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 28' ' ' CYS . 13.3 t -175.31 -162.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.428 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -91.87 92.25 8.27 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.472 1.108 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 171.91 168.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.209 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.493 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 3.2 m -119.06 172.61 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 108.293 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.455 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -131.24 130.02 42.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.376 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.974 HG23 ' HA ' ' A' ' 11' ' ' THR . 1.0 OUTLIER -94.13 119.44 42.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.22 167.94 26.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 78.7 m -71.36 146.09 49.0 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -137.19 -176.92 4.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.415 1.072 . . . . 0.0 110.263 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 89.0 m -96.15 129.51 43.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.602 1.189 . . . . 0.0 108.314 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.631 ' CG ' HG13 ' A' ' 8' ' ' VAL . 37.9 mt-30 -68.26 172.37 5.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.582 1.176 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -64.98 104.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 110.343 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.801 ' O ' HD23 ' A' ' 52' ' ' LEU . . . 126.07 -2.63 7.86 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.562 1.164 . . . . 0.0 111.058 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 19.4 m-85 -128.8 153.72 47.13 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.509 0.77 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.482 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 17.8 mt -128.7 147.77 50.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.593 1.183 . . . . 0.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.44 ' HB3' ' CG2' ' A' ' 19' ' ' THR . 14.5 ttt180 -85.48 132.26 34.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.428 1.08 . . . . 0.0 110.249 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.559 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 26.3 p-10 -107.79 146.39 32.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.457 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.45 -29.3 0.01 OUTLIER Glycine 0 CA--C 1.528 0.879 0 O-C-N 124.486 1.117 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.3 OUTLIER -79.15 32.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 0.713 . . . . 0.0 110.313 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.457 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.23 34.2 0.21 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.559 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -114.42 157.82 22.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 0.73 . . . . 0.0 109.264 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 m -107.71 98.05 7.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 108.296 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.7 m -115.49 142.08 30.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.801 HD23 ' O ' ' A' ' 41' ' ' GLY . 1.0 OUTLIER -50.02 157.01 1.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.606 1.191 . . . . 0.0 109.325 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.482 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.08 -29.52 8.01 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -75.4 -6.92 52.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 110.258 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.52 0.16 17.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.919 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.06 -171.61 26.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.594 1.184 . . . . 0.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.96 127.59 10.84 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.431 1.753 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.57 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 7.2 m-20 81.62 2.3 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -105.77 160.05 15.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.162 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.611 HG13 ' CG ' ' A' ' 39' ' ' GLN . 1.7 m -139.46 177.14 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.174 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.425 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.5 t80 -129.27 134.34 47.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -133.96 133.88 41.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . 1.002 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.2 p -85.79 -0.83 56.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 110.363 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.493 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -161.28 78.57 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 108.29 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.01 166.25 13.55 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.366 1.041 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.02 106.75 0.18 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.433 0.725 . . . . 0.0 109.974 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.449 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -52.57 -31.26 35.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.133 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.1 m -116.53 41.43 2.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 108.314 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.678 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -47.61 171.07 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.244 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.678 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.2 Cg_endo -75.06 164.46 33.21 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.41 1.742 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 18' ' ' PRO . 17.1 p -156.24 -173.63 4.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.423 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -23.53 65.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 108.379 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.81 -39.69 19.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.402 1.064 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -129.74 92.03 38.62 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.12 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.467 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 18.1 Cg_endo -75.04 60.18 5.4 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.548 1.815 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 23' ' ' PRO . 0.0 OUTLIER 179.29 143.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.844 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.0 m -65.99 162.89 18.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 110.448 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -175.3 80.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.626 1.204 . . . . 0.0 110.339 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.411 ' O ' ' O ' ' A' ' 26' ' ' ARG . 1.9 mp -39.02 157.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 m -121.86 -43.5 2.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 0.0 108.287 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -151.27 165.76 33.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.399 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 ptm -75.37 55.26 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.067 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -156.5 124.85 5.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.357 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.493 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.9 m -64.89 178.96 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.229 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.449 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -132.68 129.87 39.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 1.083 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.002 HG23 ' HA ' ' A' ' 11' ' ' THR . 1.8 mt -94.98 118.44 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.3 177.59 38.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.128 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 74.1 m -83.73 147.93 27.36 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -134.17 -177.29 4.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.384 1.053 . . . . 0.0 110.279 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 86.4 m -93.41 128.33 39.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 108.268 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.611 ' CG ' HG13 ' A' ' 8' ' ' VAL . 62.8 mt-30 -63.13 169.12 3.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -63.62 103.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.283 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.6 2.06 8.19 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 26.2 m-85 -132.18 154.93 49.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 0.767 . . . . 0.0 111.081 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.487 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 37.0 mt -130.83 152.68 49.9 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.585 1.178 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 5.8 ttp85 -84.94 136.83 33.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.532 ' O ' ' N ' ' A' ' 47' ' ' GLU . 27.8 p-10 -112.42 146.41 38.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -36.04 -28.76 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.575 1.172 . . . . 0.0 111.064 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -79.15 32.94 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 0.754 . . . . 0.0 110.297 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.464 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.04 34.35 0.2 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 111.052 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.528 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -116.74 163.92 15.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 0.736 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.79 101.11 9.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 108.309 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.6 m -116.24 144.48 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.54 156.17 2.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.487 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.05 -29.99 7.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -75.4 -6.48 50.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.579 ' O ' ' O ' ' A' ' 56' ' ' CYS . 0.9 OUTLIER -110.91 -0.87 16.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.579 ' O ' ' O ' ' A' ' 55' ' ' ASN . 1.8 t . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' GLY . 60.7 m . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 3' ' ' CYS . . . -48.14 178.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.123 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.5 Cg_endo -74.99 126.65 10.11 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.532 1.806 . . . . 0.0 111.061 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.564 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 6.9 m-20 82.84 3.33 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.414 1.072 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -107.19 161.81 14.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.27 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.637 HG13 ' CG ' ' A' ' 39' ' ' GLN . 6.6 m -141.45 177.14 3.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -124.26 132.96 53.61 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.524 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 2.0 m120 -132.11 131.96 42.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.958 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -81.87 -11.84 58.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.415 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.514 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 1.8 t -148.41 73.91 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.6 1.188 . . . . 0.0 108.241 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.49 -178.81 22.43 Favored Glycine 0 CA--C 1.528 0.867 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.8 114.81 15.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.394 0.703 . . . . 0.0 110.017 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.45 -27.0 62.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 17' ' ' ALA . 1.6 m -119.18 40.74 3.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 108.272 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.595 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -45.03 168.4 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.595 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.1 Cg_endo -75.06 161.02 39.26 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.434 HG23 ' C ' ' A' ' 18' ' ' PRO . 26.1 p -152.85 -179.82 7.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.419 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -20.17 15.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 108.38 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.01 -48.25 6.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.158 . . . . 0.0 109.283 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 2.9 mt-30 -116.37 88.79 24.58 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 1.32 7.89 Favored 'Trans proline' 0 C--N 1.362 1.24 0 O-C-N 124.455 1.766 . . . . 0.0 111.045 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -120.74 114.01 21.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.3 m -42.18 162.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.78 99.06 0.18 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.564 1.165 . . . . 0.0 110.42 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.464 HG13 ' N ' ' A' ' 28' ' ' CYS . 0.5 OUTLIER -47.0 150.66 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.464 ' N ' HG13 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -116.36 -36.37 4.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 108.252 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.1 t -156.27 -179.96 8.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.62 1.2 . . . . 0.0 110.363 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.18 41.36 1.0 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -145.05 141.66 29.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.591 1.182 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.514 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.9 m -76.46 -177.04 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 108.366 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.497 ' C ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -135.65 122.93 21.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.958 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.3 OUTLIER -91.82 116.11 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.61 178.17 37.8 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 86.0 m -81.72 150.55 27.92 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.524 ' NE2' ' HB2' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -139.59 -177.64 5.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 61.3 m -90.76 123.27 34.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.307 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.637 ' CG ' HG13 ' A' ' 8' ' ' VAL . 31.5 mt-30 -49.88 166.47 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.327 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -66.93 101.68 0.87 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 110.28 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.528 ' O ' HD23 ' A' ' 52' ' ' LEU . . . 126.96 1.71 6.78 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.436 1.085 . . . . 0.0 110.954 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.767 ' O ' HD23 ' A' ' 43' ' ' LEU . 46.2 m-85 -125.8 154.43 42.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.767 HD23 ' O ' ' A' ' 42' ' ' PHE . 47.9 mt -129.88 138.52 50.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 0.0 109.311 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -78.6 129.07 34.37 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.44 1.088 . . . . 0.0 110.355 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' GLY . 21.0 p-10 -96.0 151.07 19.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -34.37 -31.67 0.02 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.476 1.11 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' ASN . 1.0 OUTLIER -83.79 34.65 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 110.313 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 37.74 38.55 0.49 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.536 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.16 122.06 44.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.3 m -78.67 95.77 5.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 108.263 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.5 m -117.31 145.08 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.528 HD23 ' O ' ' A' ' 41' ' ' GLY . 0.9 OUTLIER -52.3 157.1 2.49 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.524 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.1 Cg_endo -75.04 -29.64 7.94 Favored 'Trans proline' 0 C--N 1.361 1.233 0 O-C-N 124.506 1.793 . . . . 0.0 110.982 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -75.21 -6.65 50.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.255 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.54 0.92 16.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.919 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.0 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.84 -174.4 1.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.555 1.159 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.7 Cg_endo -74.94 125.85 9.62 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.413 1.744 . . . . 0.0 111.074 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.567 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 5.9 m-20 82.31 3.35 1.21 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.158 . . . . 0.0 109.353 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -104.16 164.44 11.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.255 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.69 HG13 ' CG ' ' A' ' 39' ' ' GLN . 4.8 m -143.98 179.54 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.43 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.6 t80 -129.85 136.02 49.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -134.06 134.31 42.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.389 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . 1.035 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -85.13 -7.25 59.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.392 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.516 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -154.13 81.87 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 108.298 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.38 -178.22 20.78 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.115 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.683 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -76.02 107.59 8.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 0.798 . . . . 0.0 110.028 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.9 -23.23 2.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.419 ' N ' ' HB2' ' A' ' 28' ' ' CYS . 0.8 OUTLIER -128.66 47.02 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 108.254 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.683 ' HB2' ' OG ' ' A' ' 14' ' ' SER . . . -64.1 168.43 6.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.605 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.2 Cg_endo -75.03 154.89 42.67 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.527 1.804 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.439 HG23 ' C ' ' A' ' 18' ' ' PRO . 23.0 p -153.46 -179.67 7.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.365 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -23.52 67.44 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.453 1.095 . . . . 0.0 108.328 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.98 -58.78 3.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -137.34 90.68 15.0 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.527 ' HA ' ' CB ' ' A' ' 18' ' ' PRO . 18.0 Cg_endo -75.03 60.81 5.56 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.539 1.81 . . . . 0.0 110.923 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.05 122.27 15.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.64 HG23 ' HA ' ' A' ' 17' ' ' ALA . 1.3 m -97.27 141.46 30.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.379 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.684 ' C ' HD12 ' A' ' 27' ' ' ILE . 0.6 OUTLIER -175.49 41.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.584 1.178 . . . . 0.0 110.271 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.684 HD12 ' C ' ' A' ' 26' ' ' ARG . 3.2 mp 53.97 169.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.408 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.51 ' N ' HG22 ' A' ' 27' ' ' ILE . 0.5 OUTLIER -132.51 -47.13 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 108.319 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.9 p -140.11 -167.46 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.424 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.9 mtt -92.11 55.73 2.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 110.967 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 176.77 167.16 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 110.262 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.516 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 8.7 m -86.15 174.68 8.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.392 1.057 . . . . 0.0 108.291 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.478 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -124.49 125.47 44.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.38 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.035 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -92.33 121.2 42.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.78 176.78 38.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 57.7 m -83.91 142.52 30.49 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.476 ' HG3' HG23 ' A' ' 8' ' ' VAL . 10.4 pt20 -127.0 -171.3 2.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 44' ' ' ARG . 63.8 m -102.61 132.2 48.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 108.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.69 ' CG ' HG13 ' A' ' 8' ' ' VAL . 11.6 mt-30 -64.35 171.34 3.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -64.08 111.04 2.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.412 1.07 . . . . 0.0 110.322 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.76 -2.77 21.45 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 42.9 m-85 -125.12 157.28 36.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.491 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 12.1 mt -130.87 153.7 48.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.374 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.46 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -85.11 115.24 22.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.629 1.206 . . . . 0.0 110.313 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.627 ' ND2' HG13 ' A' ' 51' ' ' VAL . 3.1 p30 -92.67 135.24 34.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.08 . . . . 0.0 109.401 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -54.91 -7.55 1.08 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.476 ' H ' ' C ' ' A' ' 45' ' ' ASN . 3.1 tt0 -73.87 -0.9 17.41 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.511 0.771 . . . . 0.0 110.417 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.25 35.91 16.31 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.414 1.072 . . . . 0.0 111.002 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.595 ' C ' ' ND2' ' A' ' 45' ' ' ASN . . . -154.0 -176.92 6.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 4.6 m -120.29 117.3 27.45 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 108.249 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.627 HG13 ' ND2' ' A' ' 45' ' ' ASN . 29.5 m -125.21 143.36 39.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mp -50.65 156.76 1.47 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.491 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.96 -29.25 8.5 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.555 1.818 . . . . 0.0 111.037 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.69 -7.48 54.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -109.77 -0.88 18.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.259 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.449 -0.504 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.4 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.71 -174.27 42.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.492 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.1 Cg_endo -75.08 125.69 9.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.597 1.84 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.576 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 5.4 m-20 83.21 2.29 1.03 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -101.13 160.94 13.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.618 HG13 ' CG ' ' A' ' 39' ' ' GLN . 5.9 m -146.48 153.85 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.429 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.441 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.0 OUTLIER -108.46 129.33 55.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.418 ' OD1' ' CD ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -131.61 134.78 46.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.983 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.3 p -81.61 -4.24 55.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.465 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.505 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.6 OUTLIER -157.47 80.6 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 108.265 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.6 172.77 14.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.115 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.508 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 6.8 p -58.49 107.91 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 109.951 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.466 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -52.45 -33.03 42.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.227 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m -117.54 45.82 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.292 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.64 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -46.0 169.74 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.64 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.2 Cg_endo -75.04 154.84 42.61 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.544 1.813 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 44' ' ' ARG . 39.5 p -144.67 177.31 8.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -23.6 49.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 108.284 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.19 -46.65 9.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.386 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -118.19 86.57 27.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 1.97 7.17 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.532 1.806 . . . . 0.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.94 112.1 19.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 m -39.15 155.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.53 92.26 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.593 1.183 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.458 ' H ' HD12 ' A' ' 27' ' ' ILE . 2.7 mp -43.71 158.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -124.07 -44.73 2.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 108.318 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.2 p -135.61 -173.94 3.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.389 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.0 mtp -99.3 35.77 1.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 111.053 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.87 157.45 44.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.505 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.8 m -82.02 178.55 8.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 108.263 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.491 ' C ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -132.86 123.98 27.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.983 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -88.73 117.85 32.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.79 179.41 38.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.429 1.08 . . . . 0.0 110.962 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.441 ' SG ' ' CD2' ' A' ' 9' ' ' PHE . 72.3 m -86.15 145.22 27.11 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.418 ' CD ' ' OD1' ' A' ' 10' ' ' ASN . 14.8 pt20 -134.93 -175.63 3.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.1 m -93.61 128.38 39.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 108.329 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.618 ' CG ' HG13 ' A' ' 8' ' ' VAL . 23.9 mt-30 -61.36 168.42 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.09 103.26 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.56 0.23 7.31 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.805 ' O ' HD23 ' A' ' 43' ' ' LEU . 43.8 m-85 -127.98 154.17 45.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.801 . . . . 0.0 111.046 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.805 HD23 ' O ' ' A' ' 42' ' ' PHE . 44.2 mt -130.57 136.36 48.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.153 . . . . 0.0 109.243 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.41 ' O ' ' HB ' ' A' ' 19' ' ' THR . 4.4 ttt180 -77.82 128.4 33.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.552 ' O ' ' N ' ' A' ' 48' ' ' GLY . 23.9 p-10 -93.01 152.43 19.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -33.86 -32.45 0.02 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.547 1.155 . . . . 0.0 110.977 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 45' ' ' ASN . 2.0 tp10 -85.21 36.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 37.47 38.17 0.4 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.487 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -111.8 117.96 34.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 54.2 m -75.74 95.37 3.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 108.366 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.6 m -117.99 145.5 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.688 ' H ' HD12 ' A' ' 52' ' ' LEU . 4.4 mp -52.97 157.1 3.01 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.366 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.503 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.03 -29.18 8.46 Favored 'Trans proline' 0 C--N 1.358 1.065 0 O-C-N 124.571 1.827 . . . . 0.0 111.06 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -75.26 -7.25 53.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.84 0.23 17.14 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.4 m . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.26 179.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.518 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.4 Cg_endo -75.02 125.59 9.41 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.551 1.816 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 2.6 m120 82.87 4.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -94.41 160.38 14.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.595 HG13 ' CG ' ' A' ' 39' ' ' GLN . 2.8 m -146.75 135.95 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.503 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.2 t80 -94.14 131.63 39.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.103 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.422 ' OD1' ' CD ' ' A' ' 37' ' ' GLN . 8.5 m120 -130.77 131.44 44.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.557 1.16 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . 1.014 ' HA ' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -86.26 12.43 9.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.508 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 1.0 OUTLIER -178.35 76.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 108.297 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -115.55 172.89 14.44 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.577 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 1.3 p -41.2 106.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 0.751 . . . . 0.0 109.953 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.455 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -40.47 -33.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 m -132.64 57.08 1.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 108.277 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.592 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -46.19 167.68 0.13 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.388 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.592 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.1 Cg_endo -75.08 159.55 40.96 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.51 1.795 . . . . 0.0 110.992 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.604 ' O ' HD13 ' A' ' 43' ' ' LEU . 24.5 p -151.48 -167.72 2.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.167 . . . . 0.0 110.346 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.47 -20.71 61.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.135 . . . . 0.0 108.3 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.22 -37.11 16.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.436 1.085 . . . . 0.0 109.193 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -130.73 86.41 52.66 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 61.37 5.68 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.607 1.846 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.34 143.02 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.375 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.7 m -63.35 151.14 41.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.432 1.082 . . . . 0.0 110.484 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.37 84.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.263 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.478 HD13 ' N ' ' A' ' 27' ' ' ILE . 5.0 mm -41.05 159.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -113.1 -33.92 5.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 108.278 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.8 t -174.07 163.12 3.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.394 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.438 ' O ' ' CB ' ' A' ' 31' ' ' GLN . 7.4 ttp -58.27 92.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.438 ' CB ' ' O ' ' A' ' 30' ' ' MET . 3.9 mt-30 164.7 165.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.508 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.5 m -104.09 176.1 5.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 108.349 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.455 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -132.44 116.97 17.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.229 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.014 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.9 OUTLIER -83.94 122.71 38.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.24 173.9 31.48 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.554 1.159 . . . . 0.0 111.056 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.503 ' SG ' ' CD2' ' A' ' 9' ' ' PHE . 63.6 m -84.99 140.54 30.98 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.422 ' CD ' ' OD1' ' A' ' 10' ' ' ASN . 15.0 pt20 -128.23 -173.42 2.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.375 1.047 . . . . 0.0 110.262 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 43' ' ' LEU . 92.5 m -98.65 131.61 44.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 108.302 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.595 ' CG ' HG13 ' A' ' 8' ' ' VAL . 40.0 mt-30 -69.85 172.01 8.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.672 1.232 . . . . 0.0 110.297 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -63.15 102.89 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.336 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.91 4.31 7.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 6' ' ' ASN . 10.3 m-85 -137.35 150.56 47.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 0.727 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' ' 19' ' ' THR . 11.7 mt -128.45 149.89 50.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.367 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.431 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 38.7 ttp180 -85.12 133.89 34.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.559 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 26.4 p-10 -110.15 146.35 35.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.46 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.56 -29.29 0.02 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.497 1.123 . . . . 0.0 111.073 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 45' ' ' ASN . 2.0 tt0 -78.9 32.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 0.741 . . . . 0.0 110.374 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.36 34.41 0.23 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.555 1.16 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.559 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.95 159.07 22.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.81 97.26 6.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 108.308 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.6 m -111.3 142.66 23.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.086 . . . . 0.0 109.234 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.59 156.43 0.85 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.363 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -30.19 7.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.442 1.759 . . . . 0.0 111.045 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -75.51 -6.78 51.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.417 1.073 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.31 0.4 18.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.869 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.8 -172.62 42.44 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.556 1.16 . . . . 0.0 111.083 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.1 Cg_endo -75.01 126.06 9.71 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.624 1.855 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.587 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 7.8 m-20 82.21 3.45 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -106.6 158.02 17.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.668 HG13 ' CG ' ' A' ' 39' ' ' GLN . 16.3 m -142.15 163.53 18.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -114.44 129.38 56.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.96 137.85 52.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . 1.009 ' HA ' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -86.29 -13.13 47.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.446 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.49 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -150.18 80.07 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 108.37 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.47 173.24 17.63 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.588 1.18 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.662 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -59.36 102.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 110.04 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.66 -30.59 0.64 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.7 m -127.47 56.56 1.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 108.274 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.662 ' HB2' ' OG ' ' A' ' 14' ' ' SER . . . -62.95 168.3 4.82 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.612 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.4 Cg_endo -75.04 161.24 38.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.792 . . . . 0.0 111.066 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 18' ' ' PRO . 14.1 p -153.82 -179.39 7.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.422 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -24.6 42.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 108.314 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.26 -47.67 8.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -116.73 88.66 25.92 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 1.96 7.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 111.052 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -120.75 113.39 20.11 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 109.317 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 m -48.55 154.66 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.382 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.46 92.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.328 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.506 ' H ' HD12 ' A' ' 27' ' ' ILE . 2.9 mp -40.98 160.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -123.65 -44.02 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 108.298 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.43 HG23 ' HB2' ' A' ' 31' ' ' GLN . 15.0 t -171.54 169.76 5.99 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.461 1.101 . . . . 0.0 110.355 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.443 ' CG ' ' O ' ' A' ' 30' ' ' MET . 3.0 ptp -68.95 63.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 111.061 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.43 ' HB2' HG23 ' A' ' 29' ' ' THR . 6.5 mm-40 -153.18 164.95 37.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.113 . . . . 0.0 110.372 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.49 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 3.7 m -120.39 174.39 6.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 108.329 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.53 131.9 45.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.009 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -95.99 120.0 44.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.59 177.69 35.81 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.115 . . . . 0.0 110.95 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 77.1 m -81.71 150.22 28.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -141.32 -178.06 5.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 110.242 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 87.4 m -91.82 133.7 35.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.094 . . . . 0.0 108.26 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.668 ' CG ' HG13 ' A' ' 8' ' ' VAL . 39.4 mt-30 -69.92 175.69 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.253 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -67.46 102.74 1.17 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.503 1.127 . . . . 0.0 110.235 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.83 -3.45 8.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.423 1.077 . . . . 0.0 111.019 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.587 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 13.2 m-85 -127.3 151.52 48.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 0.734 . . . . 0.0 110.977 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 16.4 mt -128.41 150.42 50.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.442 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 2.6 tmm_? -84.62 135.01 34.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.337 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.558 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 26.4 p-10 -111.67 146.03 38.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.457 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.8 -29.24 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.416 1.072 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -78.96 33.38 0.22 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.453 0.737 . . . . 0.0 110.355 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.457 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 37.78 34.36 0.17 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.558 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.52 163.42 15.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.382 0.695 . . . . 0.0 109.239 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -111.92 97.69 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 108.428 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.7 m -113.95 142.37 26.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mp -50.61 156.98 1.38 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.634 1.209 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.476 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.1 Cg_endo -75.07 -29.84 7.7 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.594 1.839 . . . . 0.0 110.962 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.21 -7.14 53.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.08 0.02 18.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.06 -170.21 44.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.136 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.96 128.93 11.91 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.503 1.791 . . . . 0.0 110.959 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.573 ' HB3' ' CD2' ' A' ' 42' ' ' PHE . 3.0 m120 82.93 0.81 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -101.58 155.23 18.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.545 HG13 ' CG ' ' A' ' 39' ' ' GLN . 19.6 m -149.28 140.47 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.46 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 2.1 t80 -89.33 127.62 35.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.444 ' ND2' ' CD ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -128.93 129.03 44.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.374 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . 1.005 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -76.86 -5.63 49.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 -179.896 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.516 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 1.9 t -151.91 73.44 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 108.389 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.48 -155.55 24.42 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.532 1.145 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.22 111.06 22.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 0.728 . . . . 0.0 109.98 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.49 ' CA ' ' HB2' ' A' ' 33' ' ' ARG . . . -56.95 -31.45 65.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.37 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -115.37 38.31 3.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 108.29 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.647 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -51.72 169.92 0.23 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.591 1.182 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.647 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.2 Cg_endo -75.02 168.37 24.98 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 110.977 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 18' ' ' PRO . 19.2 p -157.45 177.66 11.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 110.418 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.406 ' N ' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -58.23 -19.82 36.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.287 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.22 -44.67 8.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -115.42 88.9 20.17 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.322 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 1.43 7.69 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.9 114.97 22.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.601 1.188 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.5 m -42.17 163.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.462 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 27' ' ' ILE . 6.9 tpm_? -168.02 81.1 0.18 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.514 1.134 . . . . 0.0 110.396 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.546 HD13 ' N ' ' A' ' 27' ' ' ILE . 4.1 mm -37.6 154.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.51 -33.8 6.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 108.317 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.4 t -166.28 -163.52 0.61 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.49 1.119 . . . . 0.0 110.35 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.27 42.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.068 . . . . 0.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -143.31 140.59 30.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.516 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 11.1 m -71.49 -179.42 2.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 108.305 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.49 ' HB2' ' CA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -128.42 118.63 23.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.095 . . . . 0.0 110.275 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.005 HG23 ' HA ' ' A' ' 11' ' ' THR . 1.4 mt -90.64 118.17 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.68 174.92 26.1 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.549 1.156 . . . . 0.0 111.05 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 86.2 m -76.6 140.64 41.11 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.444 ' CD ' ' ND2' ' A' ' 10' ' ' ASN . 14.6 pt20 -134.47 -169.65 2.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.0 m -99.33 121.95 41.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 108.284 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.56 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 42.6 mt-30 -50.78 165.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -66.7 101.27 0.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.662 ' O ' HD23 ' A' ' 52' ' ' LEU . . . 125.95 2.07 7.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.74 ' O ' HD23 ' A' ' 43' ' ' LEU . 41.2 m-85 -125.85 154.62 42.42 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.516 0.774 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.74 HD23 ' O ' ' A' ' 42' ' ' PHE . 54.2 mt -129.98 140.53 50.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.563 1.164 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.26 134.44 39.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.294 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.573 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 18.9 p-10 -107.34 146.97 30.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -34.28 -30.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 45' ' ' ASN . 1.6 tt0 -80.63 34.21 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 110.294 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 36.68 36.64 0.17 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.37 1.044 . . . . 0.0 111.005 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.573 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -120.44 130.27 54.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.765 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.5 m -84.74 101.2 12.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 108.253 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.4 m -118.47 145.98 23.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.662 HD23 ' O ' ' A' ' 41' ' ' GLY . 1.0 OUTLIER -52.46 156.82 2.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.522 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.6 Cg_endo -74.96 -29.79 7.92 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.42 1.748 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.01 -6.85 51.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.39 0.12 16.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.45 -0.459 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.443 ' O ' ' CG ' ' A' ' 1' ' ' GLU . 1.8 pt-20 . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -111.02 41.56 1.8 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -62.67 -164.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.568 1.167 . . . . 0.0 108.278 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' N ' ' OE1' ' A' ' 7' ' ' GLU . . . -107.29 -169.84 22.12 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.459 1.1 . . . . 0.0 111.041 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.98 127.88 11.05 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 3.0 m120 83.32 1.89 1.03 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.612 1.195 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 4' ' ' GLY . 19.1 mt-10 -103.03 156.74 17.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.642 HG13 ' CG ' ' A' ' 39' ' ' GLN . 21.9 m -143.2 150.36 17.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.448 1.092 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.5 t80 -102.42 127.57 49.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -128.63 133.68 48.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 1.013 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.2 p -83.81 4.22 30.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.513 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.6 OUTLIER -166.61 80.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 108.276 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -124.6 162.48 18.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.107 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.04 107.38 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.43 0.724 . . . . 0.0 109.994 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.441 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -59.85 -34.92 73.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.6 32.67 4.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 108.255 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.403 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -42.0 161.17 0.16 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.464 ' CD ' ' HB ' ' A' ' 25' ' ' THR . 18.2 Cg_endo -75.0 163.06 36.1 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.406 ' CG2' ' C ' ' A' ' 18' ' ' PRO . 44.2 p -150.73 -170.09 3.56 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.424 1.077 . . . . 0.0 110.381 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -22.08 65.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.371 1.044 . . . . 0.0 108.242 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.25 -52.82 5.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -113.84 95.8 38.88 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 1.15 8.06 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.483 1.781 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.54 113.72 16.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.464 ' HB ' ' CD ' ' A' ' 18' ' ' PRO . 15.3 t -97.83 174.35 6.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.184 . . . . 0.0 110.489 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -175.49 46.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.393 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.403 ' O ' ' O ' ' A' ' 26' ' ' ARG . 1.3 mp 58.11 160.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.08 -33.3 6.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 108.305 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.441 ' OG1' ' N ' ' A' ' 30' ' ' MET . 1.3 t -179.4 174.25 1.02 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.448 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.441 ' N ' ' OG1' ' A' ' 29' ' ' THR . 0.8 OUTLIER -68.55 71.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 174.67 112.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.433 1.083 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.513 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 5.4 m -54.45 178.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 108.291 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.441 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -128.86 127.18 41.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.013 HG23 ' HA ' ' A' ' 11' ' ' THR . 2.3 mt -93.4 118.21 38.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.81 179.86 36.74 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.432 ' O ' ' NH2' ' A' ' 33' ' ' ARG . 86.9 m -82.16 149.96 27.67 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -141.1 177.72 7.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 44' ' ' ARG . 58.0 m -90.54 130.6 36.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 108.284 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.642 ' CG ' HG13 ' A' ' 8' ' ' VAL . 47.8 mt-30 -67.59 169.52 9.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.57 103.9 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.4 3.28 8.01 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.465 1.103 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 6' ' ' ASN . 28.3 m-85 -132.71 151.55 51.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.523 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 73.0 mt -128.3 140.11 52.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.366 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.402 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 4.0 ttm180 -80.5 130.51 35.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.556 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 14.0 p-10 -99.92 149.9 22.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -33.98 -32.12 0.02 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.548 1.155 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 45' ' ' ASN . 2.2 tt0 -83.37 35.89 0.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.559 0.799 . . . . 0.0 110.322 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 36.74 37.04 0.19 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.542 1.151 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.556 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -114.36 123.74 50.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.8 m -80.95 95.18 6.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 108.317 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.1 m -113.64 144.12 21.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.19 156.67 0.96 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.523 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.07 -30.26 7.26 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.456 1.766 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.47 -6.13 48.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.22 0.72 16.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.813 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -115.56 41.94 2.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.559 1.162 . . . . 0.0 110.239 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.9 m -102.46 -166.65 1.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.612 1.195 . . . . 0.0 108.266 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.64 -173.17 41.28 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.507 1.129 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.3 Cg_endo -74.96 127.44 10.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.576 1.829 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.567 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 8.1 m-20 83.34 2.07 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -106.26 164.23 12.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.684 HG13 ' CG ' ' A' ' 39' ' ' GLN . 3.1 m -142.64 179.31 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.44 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.6 t80 -130.5 135.03 47.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.945 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.44 129.3 41.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.61 1.194 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 1.027 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.2 p -82.04 -9.81 59.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.456 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.507 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 2.1 t -149.95 73.45 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 108.236 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.52 -164.05 22.61 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.45 1.094 . . . . 0.0 111.013 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.56 121.31 37.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 0.0 110.025 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.596 ' HB3' ' HB3' ' A' ' 28' ' ' CYS . . . -60.86 -21.93 63.74 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.0 m -119.01 38.1 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 108.273 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.483 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -44.53 164.01 0.18 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.208 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.483 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.5 Cg_endo -75.07 150.9 38.54 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.592 1.838 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.8 p -137.48 -166.99 2.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 110.45 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -28.76 67.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 108.285 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.23 -65.34 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.371 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.481 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 5.6 mt-30 -110.26 98.91 37.87 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.476 ' HB3' HD11 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.07 2.21 6.91 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.99 115.96 20.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.4 m -40.99 161.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.369 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -152.6 39.65 0.56 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.567 1.167 . . . . 0.0 110.361 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.524 HG22 ' N ' ' A' ' 28' ' ' CYS . 4.0 mp 54.32 167.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.24 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.596 ' HB3' ' HB3' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -147.1 -47.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 108.378 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.6 t -174.41 -171.75 0.61 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.453 ' O ' ' CB ' ' A' ' 31' ' ' GLN . 1.8 mtt -88.41 78.82 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.453 ' CB ' ' O ' ' A' ' 30' ' ' MET . 0.9 OUTLIER 164.35 161.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.404 1.065 . . . . 0.0 110.347 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.507 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 4.0 m -86.9 -178.67 6.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 108.26 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.489 ' C ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -133.89 119.89 19.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.339 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.027 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.6 OUTLIER -91.23 117.38 34.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.61 176.13 38.05 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.447 1.092 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 98.1 m -83.86 148.59 26.89 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -135.54 -177.09 4.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 65.8 m -93.54 131.09 39.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 108.306 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.684 ' CG ' HG13 ' A' ' 8' ' ' VAL . 29.5 mt-30 -66.33 168.42 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -62.5 103.72 0.44 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.4 ' O ' HD23 ' A' ' 52' ' ' LEU . . . 124.16 3.03 8.28 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.529 1.143 . . . . 0.0 111.05 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 28.0 m-85 -133.14 154.47 50.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 0.731 . . . . 0.0 111.055 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.485 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 55.9 mt -129.46 149.95 51.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.455 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -84.66 133.99 34.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.563 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 27.4 p-10 -108.69 146.29 33.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.248 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.461 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.92 -29.02 0.02 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.583 1.177 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.4 OUTLIER -78.96 32.22 0.21 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 0.79 . . . . 0.0 110.233 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.461 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.96 34.15 0.27 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.563 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.61 163.4 15.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.4 m -111.53 100.89 9.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.102 . . . . 0.0 108.324 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.9 m -115.86 141.9 31.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.402 1.064 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 41' ' ' GLY . 0.7 OUTLIER -51.28 156.96 1.75 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.485 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 17.9 Cg_endo -75.04 -29.89 7.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.391 1.732 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -75.21 -6.42 49.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.344 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.23 0.74 16.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.881 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.496 ' O ' ' CG ' ' A' ' 2' ' ' GLU . 0.3 OUTLIER -177.55 60.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.696 1.247 . . . . 0.0 110.227 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.6 m -116.98 -164.37 0.98 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 108.316 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.401 ' N ' ' OE1' ' A' ' 7' ' ' GLU . . . -100.18 -172.27 29.88 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.522 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.4 Cg_endo -74.98 126.5 10.02 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.574 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 6.1 m-20 83.57 1.8 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.211 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' OE1' ' N ' ' A' ' 4' ' ' GLY . 24.0 mt-10 -101.61 158.03 16.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 0.0 110.371 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.669 HG13 ' CG ' ' A' ' 39' ' ' GLN . 8.4 m -145.37 152.38 14.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.492 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 0.8 OUTLIER -106.12 129.6 54.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 111.042 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.429 ' OD1' ' CD ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -132.53 131.86 42.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.591 1.182 . . . . 0.0 109.256 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.991 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.2 p -77.98 -4.77 48.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.495 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.51 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 1.0 OUTLIER -153.55 76.91 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 108.333 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.24 176.46 21.82 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.477 1.111 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.91 108.24 5.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 109.999 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.76 -30.49 61.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.608 1.193 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.71 35.78 3.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.237 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.501 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -49.47 164.9 0.3 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 0.0 109.353 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.501 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.5 Cg_endo -74.92 163.16 36.03 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.547 1.814 . . . . 0.0 111.078 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.435 HG23 ' C ' ' A' ' 18' ' ' PRO . 76.2 p -151.88 176.88 11.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.369 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -21.11 12.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 108.352 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.9 -53.42 4.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -113.92 96.39 41.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.74 8.55 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.496 1.787 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -126.45 116.12 20.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.455 ' HB ' ' CD ' ' A' ' 18' ' ' PRO . 7.5 t -99.54 174.92 6.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.435 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.551 ' C ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -175.36 48.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.381 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.551 HD12 ' C ' ' A' ' 26' ' ' ARG . 3.2 mp 57.46 161.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.94 -35.1 6.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 108.345 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.6 t -174.74 -163.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.388 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 ttt -82.91 76.89 9.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 169.21 160.15 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.072 . . . . 0.0 110.354 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.51 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 6.0 m -98.8 -177.28 3.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.488 1.118 . . . . 0.0 108.238 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.474 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -134.18 118.43 17.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.322 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.991 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -85.98 118.45 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.4 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.79 178.95 36.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.492 ' SG ' ' CD2' ' A' ' 9' ' ' PHE . 95.4 m -87.68 138.9 31.06 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.429 ' CD ' ' OD1' ' A' ' 10' ' ' ASN . 12.6 pt20 -127.24 -176.87 3.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 44' ' ' ARG . 59.1 m -93.4 121.18 34.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.426 1.079 . . . . 0.0 108.296 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.669 ' CG ' HG13 ' A' ' 8' ' ' VAL . 39.7 mt-30 -54.18 168.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.317 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -64.84 104.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.416 ' O ' HD23 ' A' ' 52' ' ' LEU . . . 125.06 2.37 7.79 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.432 1.082 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.633 ' O ' HD23 ' A' ' 43' ' ' LEU . 22.9 m-85 -133.15 151.53 51.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 0.75 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.633 HD23 ' O ' ' A' ' 42' ' ' PHE . 30.9 mt -129.57 142.95 50.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.457 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 0.8 OUTLIER -81.07 130.44 35.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' GLY . 15.8 p-10 -96.36 151.69 19.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -33.68 -32.61 0.02 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.473 1.108 . . . . 0.0 111.081 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 45' ' ' ASN . 1.4 tt0 -84.57 36.12 0.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 0.723 . . . . 0.0 110.371 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 36.87 38.1 0.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.436 1.085 . . . . 0.0 111.034 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.472 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -113.4 121.55 44.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.2 m -78.69 95.23 5.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.603 1.189 . . . . 0.0 108.365 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.5 m -115.43 145.86 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.438 ' HG ' ' CD2' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -53.97 156.98 4.62 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.52 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.7 Cg_endo -75.03 -29.83 7.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.78 . . . . 0.0 110.982 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -75.05 -6.14 47.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 110.297 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.23 0.18 15.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.449 -0.522 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 . . . . . 0 N--CA 1.45 -0.463 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 3' ' ' CYS . 0.8 OUTLIER 172.06 84.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.143 . . . . 0.0 110.353 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 2' ' ' GLU . 3.5 m -40.29 157.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.372 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.63 -168.47 20.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.106 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.528 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.97 130.42 13.29 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.509 1.794 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.573 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.3 m-20 83.73 0.88 1.02 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -105.85 165.42 11.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.435 1.084 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.68 HG13 ' CG ' ' A' ' 39' ' ' GLN . 1.4 m -142.41 175.22 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.429 ' CD1' ' SG ' ' A' ' 36' ' ' CYS . 1.6 t80 -122.67 131.93 54.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.528 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -127.41 123.75 36.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.959 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.1 p -79.05 -20.33 49.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.495 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -144.4 79.85 1.62 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 108.291 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -106.92 175.68 20.83 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.517 1.136 . . . . 0.0 110.949 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.9 123.45 18.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.43 0.724 . . . . 0.0 110.017 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.23 -24.19 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.634 1.209 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' O ' ' O ' ' A' ' 17' ' ' ALA . 2.1 m -136.89 53.96 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 108.235 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.583 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -44.47 167.69 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.583 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.4 Cg_endo -74.95 156.79 43.22 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 18' ' ' PRO . 21.1 p -157.44 -171.15 3.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -28.33 69.93 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.437 1.085 . . . . 0.0 108.27 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.75 -41.16 19.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -124.67 90.29 51.14 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.368 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 1.29 7.89 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.507 1.793 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.93 113.5 16.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.9 m -38.72 142.35 0.21 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.55 1.156 . . . . 0.0 110.377 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -155.38 94.7 1.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.291 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.453 ' H ' HD12 ' A' ' 27' ' ' ILE . 2.6 mp -45.08 160.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -123.78 -43.91 2.11 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 124.427 1.079 . . . . 0.0 108.322 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.3 t -155.66 178.67 9.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.57 80.7 9.15 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.548 1.155 . . . . 0.0 111.025 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 176.07 149.86 0.12 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.614 1.196 . . . . 0.0 110.387 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.495 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.2 m -93.46 169.7 10.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 108.34 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.56 HH21 ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -131.63 128.8 39.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 110.338 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.959 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.9 OUTLIER -89.78 121.73 40.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.606 1.191 . . . . 0.0 109.238 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.21 167.43 30.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.454 1.097 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 93.9 m -78.17 146.97 34.73 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.528 ' NE2' ' HB2' ' A' ' 10' ' ' ASN . 1.0 OUTLIER -134.19 -176.31 4.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.408 ' SG ' ' C ' ' A' ' 43' ' ' LEU . 55.1 m -95.02 128.35 41.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.302 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.68 ' CG ' HG13 ' A' ' 8' ' ' VAL . 30.7 mt-30 -63.67 174.77 1.26 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 110.35 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -66.42 104.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 110.262 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.765 ' O ' HD23 ' A' ' 52' ' ' LEU . . . 124.34 -2.5 8.92 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.527 1.142 . . . . 0.0 111.079 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 8.8 m-85 -129.96 152.61 49.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 0.731 . . . . 0.0 111.102 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 42' ' ' PHE . 17.0 mt -130.57 147.11 52.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.61 1.194 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 4.4 ttp180 -81.73 133.83 35.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.24 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.555 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 27.6 p-10 -109.55 146.47 34.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.352 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.467 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.57 -29.04 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ASN . 2.0 tt0 -79.01 32.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.6 33.74 0.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.594 1.184 . . . . 0.0 111.054 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.555 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.63 160.56 19.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 0.802 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.5 m -108.53 98.31 7.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 108.316 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.8 m -115.1 143.45 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.765 HD23 ' O ' ' A' ' 41' ' ' GLY . 1.0 OUTLIER -50.07 156.55 1.32 Allowed Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.473 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 17.8 Cg_endo -75.15 -29.69 7.74 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -75.29 -7.13 53.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.087 . . . . 0.0 110.181 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -110.55 -0.22 17.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 2' ' ' GLU . 10.1 mm-40 . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 1' ' ' GLU . 1.7 pt-20 36.22 39.52 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.6 m -73.77 171.39 13.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.272 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.13 176.26 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.6 Cg_endo -74.86 126.17 9.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.77 . . . . 0.0 111.09 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.574 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 6.4 m-20 82.04 4.54 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.077 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -103.13 159.74 15.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.714 HG13 ' CG ' ' A' ' 39' ' ' GLN . 16.1 m -144.64 150.23 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.602 1.189 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -99.74 126.25 45.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 111.085 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.523 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 2.9 m-80 -124.75 131.72 53.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.962 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -83.51 6.04 21.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.585 1.178 . . . . 0.0 110.362 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.5 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -170.7 77.87 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 108.342 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.26 176.09 16.19 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.556 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 10.8 p -64.46 108.0 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 0.79 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.08 -32.19 54.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 m -114.4 41.92 2.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 108.322 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.715 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -47.19 172.53 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.715 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.4 Cg_endo -74.99 149.68 37.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.3 p -137.01 169.86 17.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -23.93 21.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 108.265 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.25 -42.94 11.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.575 1.172 . . . . 0.0 109.227 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -119.31 80.27 20.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.407 1.067 . . . . 0.0 110.31 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.47 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.92 62.82 5.86 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.75 140.76 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.599 1.187 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 m -66.68 152.12 46.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.411 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.07 87.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mp -40.77 160.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -126.64 -44.81 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 108.305 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.0 p -132.66 -176.69 4.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 110.379 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -94.71 37.55 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.68 171.49 14.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.5 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 5.1 m -98.28 -179.68 4.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 108.317 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.38 119.74 22.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.962 HG23 ' HA ' ' A' ' 11' ' ' THR . 4.1 mt -88.69 120.19 37.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.03 176.75 31.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.592 1.182 . . . . 0.0 110.972 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.9 m -78.53 147.43 33.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.523 ' NE2' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -139.33 -179.2 5.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 44' ' ' ARG . 33.8 m -90.67 126.07 35.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 108.282 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.714 ' CG ' HG13 ' A' ' 8' ' ' VAL . 39.5 mt-30 -61.29 168.85 2.43 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.544 1.153 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -64.28 102.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.05 -0.39 6.6 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.43 1.081 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.892 ' O ' HD23 ' A' ' 43' ' ' LEU . 28.2 m-85 -129.95 154.33 47.47 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.477 0.751 . . . . 0.0 110.951 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.892 HD23 ' O ' ' A' ' 42' ' ' PHE . 25.8 mt -132.1 140.23 48.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.441 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 3.3 ttt180 -79.23 130.29 35.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.543 ' O ' ' N ' ' A' ' 48' ' ' GLY . 24.1 p-10 -95.06 152.31 18.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -34.32 -32.06 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.617 1.198 . . . . 0.0 110.96 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -84.82 35.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 0.789 . . . . 0.0 110.288 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 37.88 38.33 0.5 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 0.0 110.951 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.49 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -113.32 120.21 40.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 0.74 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.7 m -77.8 96.12 4.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.108 . . . . 0.0 108.311 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.6 m -118.5 146.87 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.466 ' HG ' ' CD2' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -54.57 156.74 5.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.476 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.2 Cg_endo -74.99 -29.67 7.98 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -75.43 -5.97 47.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -111.85 0.26 16.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.573 1.171 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 N--CA 1.45 -0.472 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.29 42.09 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.1 m -78.18 170.59 16.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 108.291 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.93 176.09 0.12 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.57 1.169 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.517 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.4 Cg_endo -74.96 125.84 9.61 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.47 1.774 . . . . 0.0 110.998 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 6.0 m-20 82.8 4.75 0.98 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -104.63 158.04 16.77 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.577 1.173 . . . . 0.0 110.308 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.755 HG13 ' CG ' ' A' ' 39' ' ' GLN . 18.4 m -142.61 154.19 17.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.076 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 2.1 t80 -102.63 127.98 49.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.476 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 3.0 m-80 -128.19 138.46 52.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.197 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.834 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -89.25 12.84 14.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 0.0 110.393 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.501 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -178.09 78.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.603 1.19 . . . . 0.0 108.287 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.429 ' O ' ' CG ' ' A' ' 33' ' ' ARG . . . -109.81 165.64 12.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.56 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -45.91 103.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.77 . . . . 0.0 110.017 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.92 -36.93 3.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m -122.1 51.25 1.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 108.253 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.614 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -53.09 168.52 0.34 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.614 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.3 Cg_endo -74.95 157.86 42.73 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.464 1.77 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.0 p -142.16 -176.39 4.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.382 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.6 -28.97 69.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 108.247 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.17 -45.84 14.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.382 1.052 . . . . 0.0 109.344 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -116.86 80.62 11.21 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.469 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.01 62.67 5.91 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.797 . . . . 0.0 111.065 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.3 pttt -179.02 122.36 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.402 1.063 . . . . 0.0 109.353 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 m -42.34 159.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.377 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.26 85.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -44.84 160.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -125.91 -45.58 1.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 108.326 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 30' ' ' MET . 8.8 t -153.33 -171.39 3.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.436 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.408 ' N ' ' OG1' ' A' ' 29' ' ' THR . 3.0 ttm -90.87 51.57 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -145.57 165.94 27.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.501 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 6.2 m -112.84 178.12 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 108.314 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.443 ' NH1' ' O ' ' A' ' 14' ' ' SER . 0.6 OUTLIER -123.79 126.69 46.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.834 HG23 ' HA ' ' A' ' 11' ' ' THR . 1.0 OUTLIER -96.35 116.26 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.88 -177.1 33.15 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.436 1.085 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 66.6 m -78.51 152.53 31.95 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.476 ' NE2' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -144.14 -178.16 5.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.292 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 61.7 m -91.63 125.81 36.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 108.288 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.755 ' CG ' HG13 ' A' ' 8' ' ' VAL . 26.8 mt-30 -61.85 168.81 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -64.51 102.72 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 110.321 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.06 0.58 6.97 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.45 1.094 . . . . 0.0 111.032 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.754 ' O ' HD23 ' A' ' 43' ' ' LEU . 28.7 m-85 -129.8 153.09 48.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 111.017 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.754 HD23 ' O ' ' A' ' 42' ' ' PHE . 54.3 mt -130.49 138.11 50.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -78.22 130.49 36.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.387 1.054 . . . . 0.0 110.377 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' GLY . 18.8 p-10 -97.53 150.9 20.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -34.14 -31.94 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.555 1.16 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -83.54 34.97 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.594 0.82 . . . . 0.0 110.312 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 37.5 38.09 0.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.602 1.189 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.523 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -114.83 122.42 46.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.535 0.785 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 19.5 m -79.01 96.04 5.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 108.258 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.3 m -116.79 145.43 22.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.698 ' H ' HD12 ' A' ' 52' ' ' LEU . 3.9 mp -52.13 157.23 2.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.523 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.07 -29.34 8.22 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.573 1.828 . . . . 0.0 110.983 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -75.02 -7.48 53.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.345 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -111.14 0.9 17.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.105 . . . . 0.0 109.237 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 . . . . . 0 N--CA 1.449 -0.514 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 3' ' ' CYS . 13.7 tt0 74.34 82.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.423 ' SG ' ' C ' ' A' ' 8' ' ' VAL . 2.6 m -41.41 160.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 108.294 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.35 -161.23 34.15 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.525 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.4 Cg_endo -75.02 128.74 11.71 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.559 1.82 . . . . 0.0 110.999 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 6.3 m-20 84.8 -0.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -107.81 156.26 19.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.361 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.715 HG13 ' CG ' ' A' ' 39' ' ' GLN . 18.0 m -140.12 160.63 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.417 ' HB2' ' SG ' ' A' ' 3' ' ' CYS . 2.3 t80 -108.8 129.96 55.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.616 1.197 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.5 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -127.72 127.4 43.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.975 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.1 p -79.33 -13.12 59.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.565 1.166 . . . . 0.0 110.422 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.501 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -150.93 80.51 1.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 108.321 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.8 -179.19 19.57 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.479 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 1.7 p -70.73 111.07 5.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.421 0.718 . . . . 0.0 110.013 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.541 ' HB3' ' HB2' ' A' ' 28' ' ' CYS . . . -58.64 -17.94 26.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -123.99 31.96 5.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 108.322 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -43.93 164.95 0.14 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.505 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.1 Cg_endo -75.0 160.0 40.68 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.444 1.76 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.447 HG23 ' C ' ' A' ' 18' ' ' PRO . 68.7 p -152.23 -173.5 4.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.348 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -20.74 66.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.582 1.177 . . . . 0.0 108.34 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.2 -47.02 8.06 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -119.07 96.27 49.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.93 8.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.439 1.758 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.95 115.34 17.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.47 ' HB ' ' CD ' ' A' ' 18' ' ' PRO . 9.3 t -96.25 173.85 7.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 110.404 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.493 ' C ' HD12 ' A' ' 27' ' ' ILE . 4.9 tmm_? -175.58 48.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.493 HD12 ' C ' ' A' ' 26' ' ' ARG . 2.1 mp 58.03 160.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.541 ' HB2' ' HB3' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -111.42 -34.16 6.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 108.328 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.7 t -172.43 -172.41 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.471 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.76 61.92 1.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 111.068 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -174.96 169.71 3.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.501 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 4.3 m -107.56 176.06 5.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.595 1.185 . . . . 0.0 108.256 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.425 ' NH1' ' HB2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -127.88 128.49 45.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.975 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -95.73 117.24 39.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.364 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.25 175.78 36.21 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 87.9 m -80.52 151.2 29.31 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.5 ' NE2' ' HB2' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -141.37 179.45 6.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.361 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 89.6 m -90.55 133.47 35.06 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.543 1.152 . . . . 0.0 108.321 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.715 ' CG ' HG13 ' A' ' 8' ' ' VAL . 36.7 mt-30 -73.17 176.1 6.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -66.33 103.48 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.184 . . . . 0.0 110.222 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.89 -0.44 8.41 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 6' ' ' ASN . 14.4 m-85 -131.94 151.84 51.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 0.794 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.482 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 23.6 mt -128.56 150.19 50.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 1.3 tpt180 -84.62 136.29 33.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.544 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 27.1 p-10 -112.62 146.18 39.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.461 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.68 -29.2 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.453 1.096 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.3 OUTLIER -78.69 33.17 0.2 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 0.792 . . . . 0.0 110.321 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.461 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 37.92 33.43 0.15 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.544 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -114.61 165.36 12.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 0.768 . . . . 0.0 109.356 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.4 m -114.27 99.33 7.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 108.294 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.3 m -114.43 143.02 25.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.65 ' H ' HD12 ' A' ' 52' ' ' LEU . 4.1 mp -50.53 156.9 1.38 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.482 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.5 Cg_endo -75.02 -29.16 8.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.466 1.772 . . . . 0.0 110.947 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.22 -8.06 55.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -109.95 -0.03 18.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 109.342 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.496 ' CB ' ' CB ' ' A' ' 9' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.516 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 51.88 42.33 30.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 0.0 110.295 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.2 m -118.73 171.04 8.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 108.339 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.43 178.51 1.52 Allowed Glycine 0 CA--C 1.532 1.107 0 O-C-N 124.51 1.131 . . . . 0.0 110.939 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.99 127.3 10.58 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.539 1.81 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 7.2 m-20 83.25 3.29 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.599 1.187 . . . . 0.0 109.284 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -107.4 158.22 17.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 110.352 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.744 HG13 ' CG ' ' A' ' 39' ' ' GLN . 24.5 m -140.74 160.93 24.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.496 ' CB ' ' CB ' ' A' ' 1' ' ' GLU . 2.1 t80 -107.4 127.7 53.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.53 1.144 . . . . 0.0 111.062 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -127.61 130.45 49.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.991 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -78.5 -12.67 60.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.394 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.504 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -150.65 79.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 108.249 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.52 176.84 20.4 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.524 1.14 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.417 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 1.7 p -69.69 108.35 3.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.389 0.699 . . . . 0.0 110.001 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.16 -34.07 21.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -115.2 44.08 1.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 108.265 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.715 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -49.73 171.96 0.11 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.715 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.1 Cg_endo -75.01 161.82 38.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.552 1.817 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.508 HG23 ' C ' ' A' ' 18' ' ' PRO . 32.2 p -156.93 179.56 9.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -26.65 50.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 108.332 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.32 -48.88 9.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -115.28 91.57 28.63 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.174 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 1.2 7.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.57 1.826 . . . . 0.0 111.029 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.77 -172.17 2.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.9 m -102.64 140.51 36.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.78 86.45 1.12 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -43.68 159.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.202 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.83 -42.99 2.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.281 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.3 t -168.56 177.86 5.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.36 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.5 mtt -85.63 67.02 9.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.94 125.99 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.504 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.8 m -73.03 175.61 6.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 108.283 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.496 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -130.19 122.18 27.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.354 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.991 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -88.93 117.21 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.87 178.23 35.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.475 1.11 . . . . 0.0 110.974 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 64.4 m -79.15 149.46 31.99 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -141.23 -178.74 5.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.5 m -89.89 131.3 35.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 108.253 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.744 ' CG ' HG13 ' A' ' 8' ' ' VAL . 30.5 mt-30 -68.01 168.72 11.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.265 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -63.86 103.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.083 . . . . 0.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.69 0.36 7.22 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.377 1.048 . . . . 0.0 111.027 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.744 ' O ' HD23 ' A' ' 43' ' ' LEU . 33.9 m-85 -129.18 153.28 47.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.744 HD23 ' O ' ' A' ' 42' ' ' PHE . 55.2 mt -130.47 137.81 49.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.388 1.055 . . . . 0.0 109.363 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -78.99 129.21 34.21 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.557 1.161 . . . . 0.0 110.225 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.543 ' O ' ' N ' ' A' ' 48' ' ' GLY . 23.3 p-10 -94.74 151.86 18.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -34.02 -32.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.409 1.068 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 45' ' ' ASN . 5.1 tt0 -84.43 35.8 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 0.745 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 37.23 37.88 0.33 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.481 1.113 . . . . 0.0 111.057 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.505 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -112.48 120.61 42.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.2 m -78.03 95.72 4.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 108.377 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.4 m -117.77 145.49 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.356 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.23 156.92 2.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.512 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.96 -30.21 7.47 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.479 1.778 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -75.01 -6.65 50.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.378 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.22 0.41 16.76 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.45 -0.463 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.863 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.459 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -103.92 39.17 1.67 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.7 m -109.15 170.81 7.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 108.332 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.53 177.11 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.96 126.39 9.96 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.549 1.815 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 5.9 m-20 83.26 3.43 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.4 ' HG2' ' SG ' ' A' ' 50' ' ' CYS . 27.9 mt-10 -103.9 156.52 17.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 m -140.06 152.58 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.4 t80 -103.04 127.04 50.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.419 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 6.4 m120 -125.24 129.97 51.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 1.029 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -79.28 -6.5 56.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.445 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.515 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 1.7 t -148.93 75.4 1.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.145 . . . . 0.0 108.278 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.64 -152.92 25.47 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.528 1.142 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.01 121.54 45.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.929 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.72 -26.58 67.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 17' ' ' ALA . 17.1 m -123.06 35.58 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.376 1.047 . . . . 0.0 108.302 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.588 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -44.97 168.18 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.359 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.588 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.0 Cg_endo -75.04 157.22 42.74 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.46 1.768 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 18' ' ' PRO . 19.4 p -157.8 -172.92 4.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.427 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -19.68 49.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 108.254 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.98 -49.56 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.443 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 2.8 mp0 -118.89 91.67 43.36 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 110.264 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 2.09 7.02 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 25' ' ' THR . 6.2 pttm -127.35 117.4 22.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.075 . . . . 0.0 109.233 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 24' ' ' LYS . 22.8 m -38.9 158.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.365 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -169.61 88.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 110.334 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 26' ' ' ARG . 2.5 mp -41.17 161.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.402 ' N ' HG22 ' A' ' 27' ' ' ILE . 1.1 m -129.52 -46.65 1.18 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.437 1.086 . . . . 0.0 108.318 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.7 t -151.32 -174.67 4.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.481 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.68 87.48 5.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 170.22 137.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.515 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 9.0 m -73.28 176.88 5.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.637 1.21 . . . . 0.0 108.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.505 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -126.35 116.1 20.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.601 1.188 . . . . 0.0 110.324 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.029 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -87.81 119.03 34.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.52 176.74 32.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 59.8 m -78.19 152.39 32.69 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.419 ' NE2' ' HB2' ' A' ' 10' ' ' ASN . 1.1 pt20 -142.04 -179.29 6.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 95.1 m -93.58 132.21 38.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 108.285 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -69.53 171.96 8.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.252 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -64.57 103.52 0.68 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 110.262 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.97 -3.47 7.93 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 6' ' ' ASN . 17.9 m-85 -127.46 153.03 46.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 0.744 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.483 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 16.7 mt -128.83 150.12 50.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.442 1.089 . . . . 0.0 109.344 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.44 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 4.3 ttp85 -85.26 134.21 34.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 110.392 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.542 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 26.0 p-10 -110.75 146.17 36.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.56 -29.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.5 OUTLIER -78.94 33.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 110.308 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.09 33.13 0.15 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.542 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -113.97 163.01 15.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.418 0.716 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.4 ' SG ' ' HG2' ' A' ' 7' ' ' GLU . 1.4 m -111.85 98.52 7.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.184 . . . . 0.0 108.328 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.9 m -114.59 142.65 26.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.85 156.77 1.54 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.483 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.1 Cg_endo -74.99 -29.9 7.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -75.63 -6.43 50.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 110.335 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.17 -0.67 17.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.376 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.2 t . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 N--CA 1.45 -0.472 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.441 ' O ' ' O ' ' A' ' 3' ' ' CYS . 2.0 tt0 72.56 78.21 0.15 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.41 1.068 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.441 ' O ' ' O ' ' A' ' 2' ' ' GLU . 35.1 m 40.52 -160.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 108.334 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.85 -173.23 44.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.073 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 17.8 Cg_endo -75.0 126.41 9.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 111.019 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.568 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.3 m-20 81.92 3.33 1.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -109.57 160.82 15.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.339 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.639 HG13 ' CG ' ' A' ' 39' ' ' GLN . 4.6 m -141.79 177.74 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.5 t80 -125.31 132.21 52.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.031 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.403 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 1.0 OUTLIER -132.41 133.93 44.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.975 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.1 p -81.1 -34.05 32.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.425 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.519 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 1.0 OUTLIER -131.5 77.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 108.259 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.84 169.61 13.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.44 1.088 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.496 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 1.8 p -48.89 103.76 0.05 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.577 0.81 . . . . 0.0 110.032 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.433 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -41.05 -30.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.434 ' N ' ' C ' ' A' ' 14' ' ' SER . 3.6 m -131.81 59.71 1.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.584 1.177 . . . . 0.0 108.279 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.619 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -53.57 168.81 0.36 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.619 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.5 Cg_endo -75.01 157.66 42.62 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.8 p -144.81 -173.34 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.435 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.13 -20.38 65.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 108.235 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.51 -46.29 7.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.434 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 8.9 mm-40 -118.41 87.86 31.88 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 110.259 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 1.46 7.71 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.539 1.81 . . . . 0.0 111.063 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' THR . 3.5 mttm -120.43 114.93 22.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' LYS . 16.6 m -38.38 156.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -166.38 90.38 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.583 1.177 . . . . 0.0 110.284 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.408 ' H ' HD12 ' A' ' 27' ' ' ILE . 2.6 mp -40.6 159.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.401 1.063 . . . . 0.0 109.332 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.1 m -124.57 -44.94 1.95 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.446 1.091 . . . . 0.0 108.306 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.6 t -154.31 -177.17 6.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.082 . . . . 0.0 110.405 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.3 ttm -86.63 60.59 6.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.592 1.183 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -160.75 164.51 31.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.519 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.9 m -101.17 179.81 4.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 108.33 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.433 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -129.63 135.28 48.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.373 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.975 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.4 OUTLIER -105.74 121.07 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.19 177.92 31.73 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 95.1 m -80.73 146.17 31.17 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.403 ' NE2' ' HB2' ' A' ' 10' ' ' ASN . 0.4 OUTLIER -134.5 -178.57 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 44' ' ' ARG . 66.8 m -91.13 125.16 35.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 108.343 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.639 ' CG ' HG13 ' A' ' 8' ' ' VAL . 41.9 mt-30 -56.87 166.93 0.87 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.593 1.183 . . . . 0.0 110.251 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -63.97 103.11 0.55 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.86 2.01 7.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.718 ' O ' HD23 ' A' ' 43' ' ' LEU . 37.9 m-85 -130.95 153.81 48.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 0.784 . . . . 0.0 111.056 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 42' ' ' PHE . 66.8 mt -131.51 139.41 49.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.386 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.451 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 3.3 ttm180 -78.7 131.66 36.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 18.2 p-10 -99.4 150.51 22.09 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.602 1.189 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -33.86 -32.06 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.588 1.18 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' ' 45' ' ' ASN . 1.0 OUTLIER -83.44 35.63 0.51 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.451 0.736 . . . . 0.0 110.353 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 36.81 37.43 0.23 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.515 1.134 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.54 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -114.83 123.44 49.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.1 m -79.8 97.3 6.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 108.266 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 m -117.58 145.3 23.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.241 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.06 156.77 1.64 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.52 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.04 -30.4 7.14 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.517 1.799 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -75.11 -6.42 49.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.385 1.053 . . . . 0.0 110.362 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -111.54 1.13 16.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.914 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 3' ' ' CYS . 2.2 tt0 172.94 83.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.412 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 2' ' ' GLU . 2.9 m -39.65 155.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 108.3 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.52 -164.37 38.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.6 Cg_endo -74.92 131.18 14.09 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.771 . . . . 0.0 111.047 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.549 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.0 m-20 83.54 1.18 1.04 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -109.01 160.22 16.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.157 . . . . 0.0 110.243 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.658 HG13 ' CG ' ' A' ' 39' ' ' GLN . 15.7 m -138.41 178.61 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -124.61 130.99 53.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.413 ' O ' ' HA ' ' A' ' 34' ' ' ILE . 1.8 m120 -125.3 120.73 32.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.995 ' HA ' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -82.72 -9.21 59.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 110.431 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.515 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 1.4 t -159.65 74.74 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 108.297 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 14' ' ' SER . . . -116.85 171.92 14.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.541 1.15 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.446 ' C ' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -38.75 106.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 0.78 . . . . 0.0 110.011 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.468 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -40.94 -29.7 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.446 ' N ' ' C ' ' A' ' 14' ' ' SER . 1.6 m -135.18 58.47 1.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.092 . . . . 0.0 108.239 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.597 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -48.93 167.55 0.21 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.597 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.2 Cg_endo -75.11 162.78 36.3 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.504 HG23 ' C ' ' A' ' 18' ' ' PRO . 23.9 p -157.09 -172.77 4.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.367 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.3 -21.8 60.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.322 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.01 -51.74 5.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -115.06 93.25 34.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.331 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.96 8.28 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.54 1.811 . . . . 0.0 110.99 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 25' ' ' THR . 3.7 pttt -126.72 113.4 16.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 24' ' ' LYS . 4.1 m -38.34 150.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 110.431 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -160.2 95.23 1.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.076 . . . . 0.0 110.322 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.403 ' H ' HD12 ' A' ' 27' ' ' ILE . 2.6 mp -40.52 159.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.225 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.06 -43.32 2.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 108.213 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.5 t -161.95 -174.78 4.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.459 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.38 82.39 8.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.959 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 172.23 161.38 0.11 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 110.244 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.515 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.4 m -94.99 176.33 6.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 108.307 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.468 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -129.58 132.77 46.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.995 HG23 ' HA ' ' A' ' 11' ' ' THR . 1.3 mt -100.2 120.45 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.18 166.08 24.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.438 1.086 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 73.3 m -74.76 138.89 42.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.644 ' HG3' HG23 ' A' ' 8' ' ' VAL . 11.9 pt20 -121.15 -179.39 4.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.413 ' SG ' ' C ' ' A' ' 43' ' ' LEU . 63.3 m -97.34 128.4 44.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 108.214 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.658 ' CG ' HG13 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -60.91 173.42 0.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.91 102.28 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.385 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.787 ' O ' HD23 ' A' ' 52' ' ' LEU . . . 125.56 -1.19 8.08 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 16.0 m-85 -129.24 153.0 48.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 14.3 mt -129.62 150.21 51.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.432 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -85.56 132.79 34.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.565 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 29.0 p-10 -109.1 146.55 33.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 109.209 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.466 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -36.47 -28.33 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.559 1.162 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 45' ' ' ASN . 1.3 tt0 -79.03 31.82 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 0.803 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 39.0 34.29 0.29 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.565 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -116.03 160.59 20.08 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.4 m -110.06 97.51 6.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.41 1.069 . . . . 0.0 108.258 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.5 m -115.22 144.02 23.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.787 HD23 ' O ' ' A' ' 41' ' ' GLY . 1.1 mt -49.51 156.5 1.12 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.472 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.0 Cg_endo -75.01 -29.91 7.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -75.28 -7.02 52.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.46 -0.67 17.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 3' ' ' CYS . 24.2 tt0 44.88 44.42 7.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 2' ' ' GLU . 31.8 m 39.63 -159.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 108.279 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.46 -173.35 35.32 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.485 1.116 . . . . 0.0 111.07 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.518 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.3 Cg_endo -74.97 126.42 9.97 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.447 1.762 . . . . 0.0 110.968 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.562 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 2.8 m120 83.11 2.98 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' A' ' 5' ' ' PRO . 1.0 OUTLIER -107.48 163.81 12.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.667 HG13 ' CG ' ' A' ' 39' ' ' GLN . 3.6 m -142.85 177.14 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.496 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.5 t80 -129.14 136.32 50.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.593 1.183 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -135.99 131.82 35.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 1.005 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.2 p -82.28 -13.64 56.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.595 1.184 . . . . 0.0 110.355 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.498 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -148.14 79.8 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 108.286 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.59 169.31 12.82 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -50.34 107.74 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 0.754 . . . . 0.0 110.037 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.426 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -41.41 -31.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' N ' ' C ' ' A' ' 14' ' ' SER . 1.7 m -133.14 57.87 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 108.259 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.624 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -51.37 168.72 0.25 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.384 1.052 . . . . 0.0 109.204 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.624 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.6 Cg_endo -74.94 159.19 41.88 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.427 1.751 . . . . 0.0 111.098 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.423 HG23 ' C ' ' A' ' 18' ' ' PRO . 40.6 p -151.66 -166.12 2.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 110.357 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -20.44 66.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.432 1.082 . . . . 0.0 108.288 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.41 -51.12 5.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.438 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 17.4 mt-30 -116.17 93.61 39.5 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.358 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.86 1.53 7.56 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.475 1.777 . . . . 0.0 111.03 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' THR . 5.4 mtmm -125.75 116.96 22.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 24' ' ' LYS . 2.5 m -36.73 153.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -161.7 92.01 0.85 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 110.371 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' ARG . 2.1 mp -41.31 161.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -128.51 -45.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 108.284 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.8 t -159.46 163.22 35.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.371 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.478 ' O ' ' CB ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -69.39 90.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 111.081 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 30' ' ' MET . 0.6 OUTLIER 161.85 133.75 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.445 1.091 . . . . 0.0 110.41 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.498 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 4.1 m -68.74 179.07 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 108.379 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.426 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -132.03 132.25 43.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.18 . . . . 0.0 110.262 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.005 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -97.61 118.25 43.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.79 175.78 38.49 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.63 1.206 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.496 ' SG ' ' CD2' ' A' ' 9' ' ' PHE . 99.6 m -85.32 141.92 29.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.507 ' HG3' HG23 ' A' ' 8' ' ' VAL . 12.0 pt20 -125.68 -174.77 3.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.392 1.057 . . . . 0.0 110.338 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 66.2 m -95.95 132.38 41.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 108.255 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.667 ' CG ' HG13 ' A' ' 8' ' ' VAL . 29.5 mt-30 -65.68 168.28 7.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.278 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.93 102.76 0.38 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.086 . . . . 0.0 110.19 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.83 1.37 8.19 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 28.4 m-85 -131.2 153.65 49.23 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.55 0.794 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.485 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 21.2 mt -130.0 148.06 51.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -83.09 135.36 34.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.35 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.555 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 26.1 p-10 -111.8 146.19 38.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.456 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.47 -29.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.2 OUTLIER -79.04 33.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.791 . . . . 0.0 110.349 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 37.53 34.11 0.14 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.401 1.063 . . . . 0.0 111.055 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.555 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.55 161.15 19.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.783 . . . . 0.0 109.28 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 m -110.04 98.94 8.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.623 1.202 . . . . 0.0 108.3 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.3 m -114.22 142.8 25.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.172 . . . . 0.0 109.248 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.48 156.71 1.43 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.413 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.485 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.08 -29.98 7.53 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 110.953 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -75.53 -6.12 48.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.03 0.24 16.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.857 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 1' ' ' GLU . 1.8 pt-20 37.01 40.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.624 1.203 . . . . 0.0 110.247 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 9' ' ' PHE . 10.7 m -46.48 169.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 108.253 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.445 ' N ' ' OE1' ' A' ' 7' ' ' GLU . . . -53.5 -169.92 0.03 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.601 1.188 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.5 Cg_endo -74.95 125.94 9.68 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.491 1.785 . . . . 0.0 111.062 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.579 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 3.3 m120 82.44 1.76 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 4' ' ' GLY . 15.8 mt-10 -102.97 157.16 17.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.086 . . . . 0.0 110.321 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.631 HG13 ' CG ' ' A' ' 39' ' ' GLN . 7.5 m -146.04 146.33 19.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.409 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 2.9 t80 -92.31 124.58 36.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 111.031 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.426 ' O ' ' HA ' ' A' ' 34' ' ' ILE . 0.4 OUTLIER -120.83 121.15 37.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.974 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.1 p -75.98 -20.09 58.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.415 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.493 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -146.28 79.67 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 108.233 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.62 173.94 17.42 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.691 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -59.53 105.19 0.33 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 0.738 . . . . 0.0 109.948 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.02 -29.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.45 ' N ' ' C ' ' A' ' 14' ' ' SER . 22.1 m -131.99 58.14 1.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 108.265 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.691 ' HB2' ' OG ' ' A' ' 14' ' ' SER . . . -61.7 169.38 2.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.183 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.643 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.7 Cg_endo -74.89 161.54 38.86 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.394 1.734 . . . . 0.0 111.072 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 18' ' ' PRO . 7.7 p -158.21 -176.15 5.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.41 ' N ' ' HB3' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -55.37 -28.44 53.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 108.254 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.25 -50.07 9.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -115.82 90.88 28.65 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.59 1.181 . . . . 0.0 110.308 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.16 1.37 7.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.468 1.773 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.11 114.18 19.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.589 1.181 . . . . 0.0 109.245 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.7 m -41.49 153.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.28 86.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.469 HD13 ' N ' ' A' ' 27' ' ' ILE . 5.3 mm -44.08 159.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 O-C-N 124.544 1.153 . . . . 0.0 109.259 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.413 ' O ' ' HB ' ' A' ' 29' ' ' THR . 0.9 OUTLIER -114.02 -36.74 4.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 108.274 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 28' ' ' CYS . 13.3 t -175.31 -162.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.428 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -91.87 92.25 8.27 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.472 1.108 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 171.91 168.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.209 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.493 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 3.2 m -119.06 172.61 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 108.293 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.455 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -131.24 130.02 42.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.376 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.974 HG23 ' HA ' ' A' ' 11' ' ' THR . 1.0 OUTLIER -94.13 119.44 42.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.22 167.94 26.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 78.7 m -71.36 146.09 49.0 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -137.19 -176.92 4.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.415 1.072 . . . . 0.0 110.263 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 89.0 m -96.15 129.51 43.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.602 1.189 . . . . 0.0 108.314 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.631 ' CG ' HG13 ' A' ' 8' ' ' VAL . 37.9 mt-30 -68.26 172.37 5.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.582 1.176 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -64.98 104.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 110.343 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.801 ' O ' HD23 ' A' ' 52' ' ' LEU . . . 126.07 -2.63 7.86 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.562 1.164 . . . . 0.0 111.058 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 19.4 m-85 -128.8 153.72 47.13 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.509 0.77 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.482 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 17.8 mt -128.7 147.77 50.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.593 1.183 . . . . 0.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.44 ' HB3' ' CG2' ' A' ' 19' ' ' THR . 14.5 ttt180 -85.48 132.26 34.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.428 1.08 . . . . 0.0 110.249 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.559 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 26.3 p-10 -107.79 146.39 32.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.457 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.45 -29.3 0.01 OUTLIER Glycine 0 CA--C 1.528 0.879 0 O-C-N 124.486 1.117 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.3 OUTLIER -79.15 32.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 0.713 . . . . 0.0 110.313 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.457 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.23 34.2 0.21 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.559 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -114.42 157.82 22.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 0.73 . . . . 0.0 109.264 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 m -107.71 98.05 7.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 108.296 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.7 m -115.49 142.08 30.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.801 HD23 ' O ' ' A' ' 41' ' ' GLY . 1.0 OUTLIER -50.02 157.01 1.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.606 1.191 . . . . 0.0 109.325 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.482 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.08 -29.52 8.01 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -75.4 -6.92 52.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 110.258 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.52 0.16 17.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.919 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 3' ' ' CYS . 16.4 tt0 39.66 40.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.236 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 2' ' ' GLU . 26.6 m 39.97 -159.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 108.35 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.06 -171.61 26.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.594 1.184 . . . . 0.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.96 127.59 10.84 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.431 1.753 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.57 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 7.2 m-20 81.62 2.3 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -105.77 160.05 15.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.162 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.611 HG13 ' CG ' ' A' ' 39' ' ' GLN . 1.7 m -139.46 177.14 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.174 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.425 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.5 t80 -129.27 134.34 47.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -133.96 133.88 41.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 1.002 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.2 p -85.79 -0.83 56.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 110.363 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.493 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -161.28 78.57 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 108.29 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.01 166.25 13.55 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.366 1.041 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.02 106.75 0.18 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.433 0.725 . . . . 0.0 109.974 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.449 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -52.57 -31.26 35.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.133 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.1 m -116.53 41.43 2.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 108.314 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.678 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -47.61 171.07 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.244 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.678 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.2 Cg_endo -75.06 164.46 33.21 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.41 1.742 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 18' ' ' PRO . 17.1 p -156.24 -173.63 4.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.423 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -23.53 65.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 108.379 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.81 -39.69 19.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.402 1.064 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -129.74 92.03 38.62 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.12 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.467 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 18.1 Cg_endo -75.04 60.18 5.4 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.548 1.815 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 23' ' ' PRO . 0.0 OUTLIER 179.29 143.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.844 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.0 m -65.99 162.89 18.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 110.448 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -175.3 80.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.626 1.204 . . . . 0.0 110.339 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.411 ' O ' ' O ' ' A' ' 26' ' ' ARG . 1.9 mp -39.02 157.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 m -121.86 -43.5 2.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 0.0 108.287 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -151.27 165.76 33.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.399 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 ptm -75.37 55.26 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.067 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -156.5 124.85 5.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.357 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.493 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.9 m -64.89 178.96 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.229 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.449 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -132.68 129.87 39.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 1.083 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.002 HG23 ' HA ' ' A' ' 11' ' ' THR . 1.8 mt -94.98 118.44 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.3 177.59 38.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.128 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 74.1 m -83.73 147.93 27.36 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -134.17 -177.29 4.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.384 1.053 . . . . 0.0 110.279 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 86.4 m -93.41 128.33 39.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 108.268 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.611 ' CG ' HG13 ' A' ' 8' ' ' VAL . 62.8 mt-30 -63.13 169.12 3.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -63.62 103.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.283 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.6 2.06 8.19 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 26.2 m-85 -132.18 154.93 49.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 0.767 . . . . 0.0 111.081 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.487 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 37.0 mt -130.83 152.68 49.9 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.585 1.178 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 5.8 ttp85 -84.94 136.83 33.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.532 ' O ' ' N ' ' A' ' 47' ' ' GLU . 27.8 p-10 -112.42 146.41 38.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -36.04 -28.76 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.575 1.172 . . . . 0.0 111.064 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -79.15 32.94 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 0.754 . . . . 0.0 110.297 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.464 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.04 34.35 0.2 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 111.052 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.528 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -116.74 163.92 15.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 0.736 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.79 101.11 9.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 108.309 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.6 m -116.24 144.48 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.54 156.17 2.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.487 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.05 -29.99 7.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -75.4 -6.48 50.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.579 ' O ' ' O ' ' A' ' 56' ' ' CYS . 0.9 OUTLIER -110.91 -0.87 16.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.579 ' O ' ' O ' ' A' ' 55' ' ' ASN . 1.8 t . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.494 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -104.48 39.4 1.68 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.635 1.209 . . . . 0.0 110.276 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' GLY . 60.7 m -117.66 168.79 10.11 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.536 1.147 . . . . 0.0 108.295 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 3' ' ' CYS . . . -48.14 178.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.123 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.5 Cg_endo -74.99 126.65 10.11 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.532 1.806 . . . . 0.0 111.061 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.564 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 6.9 m-20 82.84 3.33 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.414 1.072 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -107.19 161.81 14.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.27 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.637 HG13 ' CG ' ' A' ' 39' ' ' GLN . 6.6 m -141.45 177.14 3.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -124.26 132.96 53.61 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.524 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 2.0 m120 -132.11 131.96 42.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.958 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -81.87 -11.84 58.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.415 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.514 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 1.8 t -148.41 73.91 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.6 1.188 . . . . 0.0 108.241 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.49 -178.81 22.43 Favored Glycine 0 CA--C 1.528 0.867 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.8 114.81 15.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.394 0.703 . . . . 0.0 110.017 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.45 -27.0 62.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 17' ' ' ALA . 1.6 m -119.18 40.74 3.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 108.272 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.595 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -45.03 168.4 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.595 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.1 Cg_endo -75.06 161.02 39.26 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.434 HG23 ' C ' ' A' ' 18' ' ' PRO . 26.1 p -152.85 -179.82 7.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.419 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -20.17 15.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 108.38 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.01 -48.25 6.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.158 . . . . 0.0 109.283 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 2.9 mt-30 -116.37 88.79 24.58 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 1.32 7.89 Favored 'Trans proline' 0 C--N 1.362 1.24 0 O-C-N 124.455 1.766 . . . . 0.0 111.045 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -120.74 114.01 21.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.3 m -42.18 162.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.78 99.06 0.18 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.564 1.165 . . . . 0.0 110.42 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.464 HG13 ' N ' ' A' ' 28' ' ' CYS . 0.5 OUTLIER -47.0 150.66 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.464 ' N ' HG13 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -116.36 -36.37 4.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 108.252 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.1 t -156.27 -179.96 8.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.62 1.2 . . . . 0.0 110.363 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.18 41.36 1.0 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -145.05 141.66 29.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.591 1.182 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.514 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.9 m -76.46 -177.04 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 108.366 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.497 ' C ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -135.65 122.93 21.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.958 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.3 OUTLIER -91.82 116.11 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.61 178.17 37.8 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 86.0 m -81.72 150.55 27.92 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.524 ' NE2' ' HB2' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -139.59 -177.64 5.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 61.3 m -90.76 123.27 34.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.307 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.637 ' CG ' HG13 ' A' ' 8' ' ' VAL . 31.5 mt-30 -49.88 166.47 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.327 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -66.93 101.68 0.87 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 110.28 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.528 ' O ' HD23 ' A' ' 52' ' ' LEU . . . 126.96 1.71 6.78 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.436 1.085 . . . . 0.0 110.954 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.767 ' O ' HD23 ' A' ' 43' ' ' LEU . 46.2 m-85 -125.8 154.43 42.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.767 HD23 ' O ' ' A' ' 42' ' ' PHE . 47.9 mt -129.88 138.52 50.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 0.0 109.311 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -78.6 129.07 34.37 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.44 1.088 . . . . 0.0 110.355 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' GLY . 21.0 p-10 -96.0 151.07 19.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -34.37 -31.67 0.02 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.476 1.11 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' ASN . 1.0 OUTLIER -83.79 34.65 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 110.313 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 37.74 38.55 0.49 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.536 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.16 122.06 44.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.3 m -78.67 95.77 5.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 108.263 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.5 m -117.31 145.08 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.528 HD23 ' O ' ' A' ' 41' ' ' GLY . 0.9 OUTLIER -52.3 157.1 2.49 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.524 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.1 Cg_endo -75.04 -29.64 7.94 Favored 'Trans proline' 0 C--N 1.361 1.233 0 O-C-N 124.506 1.793 . . . . 0.0 110.982 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -75.21 -6.65 50.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.255 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.54 0.92 16.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.919 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -159.6 47.29 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.59 1.181 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.0 m -111.09 177.77 4.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 108.281 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.84 -174.4 1.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.555 1.159 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.7 Cg_endo -74.94 125.85 9.62 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.413 1.744 . . . . 0.0 111.074 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.567 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 5.9 m-20 82.31 3.35 1.21 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.158 . . . . 0.0 109.353 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -104.16 164.44 11.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.255 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.69 HG13 ' CG ' ' A' ' 39' ' ' GLN . 4.8 m -143.98 179.54 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.43 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.6 t80 -129.85 136.02 49.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -134.06 134.31 42.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.389 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 1.035 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -85.13 -7.25 59.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.392 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.516 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -154.13 81.87 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 108.298 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.38 -178.22 20.78 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.115 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.683 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -76.02 107.59 8.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 0.798 . . . . 0.0 110.028 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.9 -23.23 2.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.419 ' N ' ' HB2' ' A' ' 28' ' ' CYS . 0.8 OUTLIER -128.66 47.02 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 108.254 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.683 ' HB2' ' OG ' ' A' ' 14' ' ' SER . . . -64.1 168.43 6.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.605 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.2 Cg_endo -75.03 154.89 42.67 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.527 1.804 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.439 HG23 ' C ' ' A' ' 18' ' ' PRO . 23.0 p -153.46 -179.67 7.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.365 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -23.52 67.44 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.453 1.095 . . . . 0.0 108.328 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.98 -58.78 3.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -137.34 90.68 15.0 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.527 ' HA ' ' CB ' ' A' ' 18' ' ' PRO . 18.0 Cg_endo -75.03 60.81 5.56 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.539 1.81 . . . . 0.0 110.923 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.05 122.27 15.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.64 HG23 ' HA ' ' A' ' 17' ' ' ALA . 1.3 m -97.27 141.46 30.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.379 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.684 ' C ' HD12 ' A' ' 27' ' ' ILE . 0.6 OUTLIER -175.49 41.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.584 1.178 . . . . 0.0 110.271 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.684 HD12 ' C ' ' A' ' 26' ' ' ARG . 3.2 mp 53.97 169.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.408 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.51 ' N ' HG22 ' A' ' 27' ' ' ILE . 0.5 OUTLIER -132.51 -47.13 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 108.319 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.9 p -140.11 -167.46 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.424 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.9 mtt -92.11 55.73 2.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 110.967 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 176.77 167.16 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 110.262 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.516 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 8.7 m -86.15 174.68 8.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.392 1.057 . . . . 0.0 108.291 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.478 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -124.49 125.47 44.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.38 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.035 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -92.33 121.2 42.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.78 176.78 38.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 57.7 m -83.91 142.52 30.49 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.476 ' HG3' HG23 ' A' ' 8' ' ' VAL . 10.4 pt20 -127.0 -171.3 2.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 44' ' ' ARG . 63.8 m -102.61 132.2 48.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 108.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.69 ' CG ' HG13 ' A' ' 8' ' ' VAL . 11.6 mt-30 -64.35 171.34 3.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -64.08 111.04 2.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.412 1.07 . . . . 0.0 110.322 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.76 -2.77 21.45 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 42.9 m-85 -125.12 157.28 36.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.491 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 12.1 mt -130.87 153.7 48.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.374 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.46 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -85.11 115.24 22.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.629 1.206 . . . . 0.0 110.313 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.627 ' ND2' HG13 ' A' ' 51' ' ' VAL . 3.1 p30 -92.67 135.24 34.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.08 . . . . 0.0 109.401 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -54.91 -7.55 1.08 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.476 ' H ' ' C ' ' A' ' 45' ' ' ASN . 3.1 tt0 -73.87 -0.9 17.41 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.511 0.771 . . . . 0.0 110.417 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.25 35.91 16.31 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.414 1.072 . . . . 0.0 111.002 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.595 ' C ' ' ND2' ' A' ' 45' ' ' ASN . . . -154.0 -176.92 6.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 4.6 m -120.29 117.3 27.45 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 108.249 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.627 HG13 ' ND2' ' A' ' 45' ' ' ASN . 29.5 m -125.21 143.36 39.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mp -50.65 156.76 1.47 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.491 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.96 -29.25 8.5 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.555 1.818 . . . . 0.0 111.037 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.69 -7.48 54.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -109.77 -0.88 18.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.259 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.449 -0.504 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 3' ' ' CYS . 11.9 tt0 -172.37 73.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.438 ' O ' ' O ' ' A' ' 2' ' ' GLU . 35.4 m 39.94 -159.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 0.0 108.351 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.71 -174.27 42.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.492 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.1 Cg_endo -75.08 125.69 9.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.597 1.84 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.576 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 5.4 m-20 83.21 2.29 1.03 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -101.13 160.94 13.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.618 HG13 ' CG ' ' A' ' 39' ' ' GLN . 5.9 m -146.48 153.85 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.429 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.441 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.0 OUTLIER -108.46 129.33 55.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.418 ' OD1' ' CD ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -131.61 134.78 46.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.983 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.3 p -81.61 -4.24 55.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.465 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.505 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.6 OUTLIER -157.47 80.6 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 108.265 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.6 172.77 14.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.115 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.508 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 6.8 p -58.49 107.91 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 109.951 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.466 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -52.45 -33.03 42.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.227 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m -117.54 45.82 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.292 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.64 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -46.0 169.74 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.64 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.2 Cg_endo -75.04 154.84 42.61 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.544 1.813 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 44' ' ' ARG . 39.5 p -144.67 177.31 8.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -23.6 49.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 108.284 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.19 -46.65 9.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.386 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -118.19 86.57 27.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 1.97 7.17 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.532 1.806 . . . . 0.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.94 112.1 19.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 m -39.15 155.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.53 92.26 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.593 1.183 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.458 ' H ' HD12 ' A' ' 27' ' ' ILE . 2.7 mp -43.71 158.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -124.07 -44.73 2.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 108.318 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.2 p -135.61 -173.94 3.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.389 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.0 mtp -99.3 35.77 1.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 111.053 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.87 157.45 44.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.505 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.8 m -82.02 178.55 8.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 108.263 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.491 ' C ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -132.86 123.98 27.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.983 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -88.73 117.85 32.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.79 179.41 38.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.429 1.08 . . . . 0.0 110.962 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.441 ' SG ' ' CD2' ' A' ' 9' ' ' PHE . 72.3 m -86.15 145.22 27.11 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.418 ' CD ' ' OD1' ' A' ' 10' ' ' ASN . 14.8 pt20 -134.93 -175.63 3.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.1 m -93.61 128.38 39.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 108.329 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.618 ' CG ' HG13 ' A' ' 8' ' ' VAL . 23.9 mt-30 -61.36 168.42 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.09 103.26 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.56 0.23 7.31 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.805 ' O ' HD23 ' A' ' 43' ' ' LEU . 43.8 m-85 -127.98 154.17 45.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.801 . . . . 0.0 111.046 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.805 HD23 ' O ' ' A' ' 42' ' ' PHE . 44.2 mt -130.57 136.36 48.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.153 . . . . 0.0 109.243 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.41 ' O ' ' HB ' ' A' ' 19' ' ' THR . 4.4 ttt180 -77.82 128.4 33.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.552 ' O ' ' N ' ' A' ' 48' ' ' GLY . 23.9 p-10 -93.01 152.43 19.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -33.86 -32.45 0.02 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.547 1.155 . . . . 0.0 110.977 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 45' ' ' ASN . 2.0 tp10 -85.21 36.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 37.47 38.17 0.4 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.487 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -111.8 117.96 34.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 54.2 m -75.74 95.37 3.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 108.366 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.6 m -117.99 145.5 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.688 ' H ' HD12 ' A' ' 52' ' ' LEU . 4.4 mp -52.97 157.1 3.01 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.366 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.503 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.03 -29.18 8.46 Favored 'Trans proline' 0 C--N 1.358 1.065 0 O-C-N 124.571 1.827 . . . . 0.0 111.06 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -75.26 -7.25 53.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.84 0.23 17.14 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.495 ' HA ' ' OE1' ' A' ' 1' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' A' ' 1' ' ' GLU . 4.5 mm-40 -90.98 34.32 0.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.615 1.197 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.4 m -104.41 174.91 5.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 108.311 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.26 179.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.518 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.4 Cg_endo -75.02 125.59 9.41 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.551 1.816 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 2.6 m120 82.87 4.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -94.41 160.38 14.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.595 HG13 ' CG ' ' A' ' 39' ' ' GLN . 2.8 m -146.75 135.95 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.503 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.2 t80 -94.14 131.63 39.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.103 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.422 ' OD1' ' CD ' ' A' ' 37' ' ' GLN . 8.5 m120 -130.77 131.44 44.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.557 1.16 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 1.014 ' HA ' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -86.26 12.43 9.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.508 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 1.0 OUTLIER -178.35 76.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 108.297 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -115.55 172.89 14.44 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.577 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 1.3 p -41.2 106.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 0.751 . . . . 0.0 109.953 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.455 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -40.47 -33.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 m -132.64 57.08 1.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 108.277 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.592 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -46.19 167.68 0.13 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.388 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.592 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.1 Cg_endo -75.08 159.55 40.96 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.51 1.795 . . . . 0.0 110.992 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.604 ' O ' HD13 ' A' ' 43' ' ' LEU . 24.5 p -151.48 -167.72 2.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.167 . . . . 0.0 110.346 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.47 -20.71 61.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.135 . . . . 0.0 108.3 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.22 -37.11 16.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.436 1.085 . . . . 0.0 109.193 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -130.73 86.41 52.66 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 61.37 5.68 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.607 1.846 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.34 143.02 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.375 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.7 m -63.35 151.14 41.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.432 1.082 . . . . 0.0 110.484 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.37 84.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.263 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.478 HD13 ' N ' ' A' ' 27' ' ' ILE . 5.0 mm -41.05 159.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -113.1 -33.92 5.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 108.278 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.8 t -174.07 163.12 3.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.394 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.438 ' O ' ' CB ' ' A' ' 31' ' ' GLN . 7.4 ttp -58.27 92.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.438 ' CB ' ' O ' ' A' ' 30' ' ' MET . 3.9 mt-30 164.7 165.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.508 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.5 m -104.09 176.1 5.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 108.349 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.455 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -132.44 116.97 17.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.229 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.014 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.9 OUTLIER -83.94 122.71 38.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.24 173.9 31.48 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.554 1.159 . . . . 0.0 111.056 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.503 ' SG ' ' CD2' ' A' ' 9' ' ' PHE . 63.6 m -84.99 140.54 30.98 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.422 ' CD ' ' OD1' ' A' ' 10' ' ' ASN . 15.0 pt20 -128.23 -173.42 2.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.375 1.047 . . . . 0.0 110.262 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 43' ' ' LEU . 92.5 m -98.65 131.61 44.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 108.302 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.595 ' CG ' HG13 ' A' ' 8' ' ' VAL . 40.0 mt-30 -69.85 172.01 8.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.672 1.232 . . . . 0.0 110.297 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -63.15 102.89 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.336 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.91 4.31 7.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 6' ' ' ASN . 10.3 m-85 -137.35 150.56 47.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 0.727 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' ' 19' ' ' THR . 11.7 mt -128.45 149.89 50.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.367 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.431 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 38.7 ttp180 -85.12 133.89 34.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.559 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 26.4 p-10 -110.15 146.35 35.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.46 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.56 -29.29 0.02 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.497 1.123 . . . . 0.0 111.073 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 45' ' ' ASN . 2.0 tt0 -78.9 32.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 0.741 . . . . 0.0 110.374 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.36 34.41 0.23 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.555 1.16 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.559 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.95 159.07 22.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.81 97.26 6.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 108.308 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.6 m -111.3 142.66 23.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.086 . . . . 0.0 109.234 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.59 156.43 0.85 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.363 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -30.19 7.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.442 1.759 . . . . 0.0 111.045 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -75.51 -6.78 51.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.417 1.073 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.31 0.4 18.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.869 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 3' ' ' CYS . 11.4 tt0 -146.52 61.78 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.168 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.444 ' O ' ' O ' ' A' ' 2' ' ' GLU . 33.6 m 39.75 -159.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.267 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.8 -172.62 42.44 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.556 1.16 . . . . 0.0 111.083 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.1 Cg_endo -75.01 126.06 9.71 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.624 1.855 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.587 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 7.8 m-20 82.21 3.45 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -106.6 158.02 17.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.668 HG13 ' CG ' ' A' ' 39' ' ' GLN . 16.3 m -142.15 163.53 18.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -114.44 129.38 56.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.96 137.85 52.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 1.009 ' HA ' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -86.29 -13.13 47.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.446 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.49 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -150.18 80.07 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 108.37 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.47 173.24 17.63 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.588 1.18 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.662 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -59.36 102.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 110.04 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.66 -30.59 0.64 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.7 m -127.47 56.56 1.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 108.274 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.662 ' HB2' ' OG ' ' A' ' 14' ' ' SER . . . -62.95 168.3 4.82 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.612 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.4 Cg_endo -75.04 161.24 38.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.792 . . . . 0.0 111.066 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 18' ' ' PRO . 14.1 p -153.82 -179.39 7.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.422 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -24.6 42.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 108.314 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.26 -47.67 8.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -116.73 88.66 25.92 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 1.96 7.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 111.052 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -120.75 113.39 20.11 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 109.317 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 m -48.55 154.66 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.382 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.46 92.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.328 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.506 ' H ' HD12 ' A' ' 27' ' ' ILE . 2.9 mp -40.98 160.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -123.65 -44.02 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 108.298 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.43 HG23 ' HB2' ' A' ' 31' ' ' GLN . 15.0 t -171.54 169.76 5.99 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.461 1.101 . . . . 0.0 110.355 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.443 ' CG ' ' O ' ' A' ' 30' ' ' MET . 3.0 ptp -68.95 63.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 111.061 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.43 ' HB2' HG23 ' A' ' 29' ' ' THR . 6.5 mm-40 -153.18 164.95 37.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.113 . . . . 0.0 110.372 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.49 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 3.7 m -120.39 174.39 6.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 108.329 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.53 131.9 45.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.009 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -95.99 120.0 44.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.59 177.69 35.81 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.115 . . . . 0.0 110.95 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 77.1 m -81.71 150.22 28.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -141.32 -178.06 5.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 110.242 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 87.4 m -91.82 133.7 35.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.094 . . . . 0.0 108.26 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.668 ' CG ' HG13 ' A' ' 8' ' ' VAL . 39.4 mt-30 -69.92 175.69 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.253 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -67.46 102.74 1.17 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.503 1.127 . . . . 0.0 110.235 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.83 -3.45 8.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.423 1.077 . . . . 0.0 111.019 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.587 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 13.2 m-85 -127.3 151.52 48.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 0.734 . . . . 0.0 110.977 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 16.4 mt -128.41 150.42 50.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.442 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 2.6 tmm_? -84.62 135.01 34.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.337 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.558 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 26.4 p-10 -111.67 146.03 38.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.457 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.8 -29.24 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.416 1.072 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -78.96 33.38 0.22 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.453 0.737 . . . . 0.0 110.355 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.457 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 37.78 34.36 0.17 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.558 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.52 163.42 15.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.382 0.695 . . . . 0.0 109.239 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -111.92 97.69 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 108.428 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.7 m -113.95 142.37 26.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mp -50.61 156.98 1.38 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.634 1.209 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.476 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.1 Cg_endo -75.07 -29.84 7.7 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.594 1.839 . . . . 0.0 110.962 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.21 -7.14 53.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.08 0.02 18.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 N--CA 1.449 -0.523 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 59.91 55.96 3.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.169 . . . . 0.0 110.367 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.3 m -121.85 170.42 9.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 108.246 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.06 -170.21 44.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.136 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.96 128.93 11.91 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.503 1.791 . . . . 0.0 110.959 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.573 ' HB3' ' CD2' ' A' ' 42' ' ' PHE . 3.0 m120 82.93 0.81 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -101.58 155.23 18.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.545 HG13 ' CG ' ' A' ' 39' ' ' GLN . 19.6 m -149.28 140.47 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.46 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 2.1 t80 -89.33 127.62 35.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.444 ' ND2' ' CD ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -128.93 129.03 44.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.374 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 1.005 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -76.86 -5.63 49.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 -179.896 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.516 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 1.9 t -151.91 73.44 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 108.389 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.48 -155.55 24.42 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.532 1.145 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.22 111.06 22.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 0.728 . . . . 0.0 109.98 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.49 ' CA ' ' HB2' ' A' ' 33' ' ' ARG . . . -56.95 -31.45 65.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.37 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -115.37 38.31 3.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 108.29 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.647 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -51.72 169.92 0.23 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.591 1.182 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.647 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.2 Cg_endo -75.02 168.37 24.98 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 110.977 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 18' ' ' PRO . 19.2 p -157.45 177.66 11.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 110.418 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.406 ' N ' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -58.23 -19.82 36.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.287 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.22 -44.67 8.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -115.42 88.9 20.17 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.322 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 1.43 7.69 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.9 114.97 22.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.601 1.188 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.5 m -42.17 163.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.462 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 27' ' ' ILE . 6.9 tpm_? -168.02 81.1 0.18 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.514 1.134 . . . . 0.0 110.396 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.546 HD13 ' N ' ' A' ' 27' ' ' ILE . 4.1 mm -37.6 154.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.51 -33.8 6.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 108.317 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.4 t -166.28 -163.52 0.61 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.49 1.119 . . . . 0.0 110.35 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.27 42.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.068 . . . . 0.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -143.31 140.59 30.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.516 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 11.1 m -71.49 -179.42 2.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 108.305 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.49 ' HB2' ' CA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -128.42 118.63 23.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.095 . . . . 0.0 110.275 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.005 HG23 ' HA ' ' A' ' 11' ' ' THR . 1.4 mt -90.64 118.17 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.68 174.92 26.1 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.549 1.156 . . . . 0.0 111.05 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 86.2 m -76.6 140.64 41.11 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.444 ' CD ' ' ND2' ' A' ' 10' ' ' ASN . 14.6 pt20 -134.47 -169.65 2.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.0 m -99.33 121.95 41.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 108.284 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.56 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 42.6 mt-30 -50.78 165.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -66.7 101.27 0.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.662 ' O ' HD23 ' A' ' 52' ' ' LEU . . . 125.95 2.07 7.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.74 ' O ' HD23 ' A' ' 43' ' ' LEU . 41.2 m-85 -125.85 154.62 42.42 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.516 0.774 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.74 HD23 ' O ' ' A' ' 42' ' ' PHE . 54.2 mt -129.98 140.53 50.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.563 1.164 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.26 134.44 39.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.294 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.573 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 18.9 p-10 -107.34 146.97 30.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -34.28 -30.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 45' ' ' ASN . 1.6 tt0 -80.63 34.21 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 110.294 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 36.68 36.64 0.17 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.37 1.044 . . . . 0.0 111.005 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.573 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -120.44 130.27 54.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.765 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.5 m -84.74 101.2 12.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 108.253 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.4 m -118.47 145.98 23.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.662 HD23 ' O ' ' A' ' 41' ' ' GLY . 1.0 OUTLIER -52.46 156.82 2.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.522 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.6 Cg_endo -74.96 -29.79 7.92 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.42 1.748 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.01 -6.85 51.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.39 0.12 16.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.45 -0.459 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.425 ' N ' ' OE1' ' A' ' 7' ' ' GLU . . . -107.29 -169.84 22.12 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.459 1.1 . . . . 0.0 111.041 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.98 127.88 11.05 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 7.1 m-20 83.32 1.89 1.03 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.612 1.195 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 4' ' ' GLY . 19.1 mt-10 -103.03 156.74 17.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.642 HG13 ' CG ' ' A' ' 39' ' ' GLN . 21.9 m -143.2 150.36 17.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.448 1.092 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.5 t80 -102.42 127.57 49.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.406 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 7.1 m-80 -128.63 133.68 48.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 1.013 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.2 p -83.81 4.22 30.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.513 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.6 OUTLIER -166.61 80.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 108.276 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -124.6 162.48 18.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.107 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.04 107.38 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.43 0.724 . . . . 0.0 109.994 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.441 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -59.85 -34.92 73.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.6 32.67 4.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 108.255 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.403 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -42.0 161.17 0.16 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.464 ' CD ' ' HB ' ' A' ' 25' ' ' THR . 18.2 Cg_endo -75.0 163.06 36.1 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.406 ' CG2' ' C ' ' A' ' 18' ' ' PRO . 44.2 p -150.73 -170.09 3.56 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.424 1.077 . . . . 0.0 110.381 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -22.08 65.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.371 1.044 . . . . 0.0 108.242 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.25 -52.82 5.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -113.84 95.8 38.88 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 1.15 8.06 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.483 1.781 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.54 113.72 16.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.464 ' HB ' ' CD ' ' A' ' 18' ' ' PRO . 15.3 t -97.83 174.35 6.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.184 . . . . 0.0 110.489 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -175.49 46.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.393 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.403 ' O ' ' O ' ' A' ' 26' ' ' ARG . 1.3 mp 58.11 160.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.08 -33.3 6.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 108.305 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.441 ' OG1' ' N ' ' A' ' 30' ' ' MET . 1.3 t -179.4 174.25 1.02 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.448 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.441 ' N ' ' OG1' ' A' ' 29' ' ' THR . 0.8 OUTLIER -68.55 71.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 174.67 112.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.433 1.083 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.513 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 5.4 m -54.45 178.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 108.291 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.441 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -128.86 127.18 41.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.013 HG23 ' HA ' ' A' ' 11' ' ' THR . 2.3 mt -93.4 118.21 38.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.81 179.86 36.74 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.432 ' O ' ' NH2' ' A' ' 33' ' ' ARG . 86.9 m -82.16 149.96 27.67 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.406 ' NE2' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -141.1 177.72 7.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 44' ' ' ARG . 58.0 m -90.54 130.6 36.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 108.284 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.642 ' CG ' HG13 ' A' ' 8' ' ' VAL . 47.8 mt-30 -67.59 169.52 9.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.57 103.9 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.4 3.28 8.01 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.465 1.103 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 6' ' ' ASN . 28.3 m-85 -132.71 151.55 51.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.523 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 73.0 mt -128.3 140.11 52.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.366 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.402 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 4.0 ttm180 -80.5 130.51 35.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.556 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 14.0 p-10 -99.92 149.9 22.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -33.98 -32.12 0.02 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.548 1.155 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 45' ' ' ASN . 2.2 tt0 -83.37 35.89 0.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.559 0.799 . . . . 0.0 110.322 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 36.74 37.04 0.19 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.542 1.151 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.556 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -114.36 123.74 50.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.8 m -80.95 95.18 6.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 108.317 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.1 m -113.64 144.12 21.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.19 156.67 0.96 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.523 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.07 -30.26 7.26 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.456 1.766 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.47 -6.13 48.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.22 0.72 16.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.813 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.64 -173.17 41.28 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.507 1.129 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.3 Cg_endo -74.96 127.44 10.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.576 1.829 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.567 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 8.1 m-20 83.34 2.07 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -106.26 164.23 12.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.684 HG13 ' CG ' ' A' ' 39' ' ' GLN . 3.1 m -142.64 179.31 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.44 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.6 t80 -130.5 135.03 47.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.945 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.431 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -131.44 129.3 41.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.61 1.194 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 1.027 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.2 p -82.04 -9.81 59.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.456 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.507 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 2.1 t -149.95 73.45 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 108.236 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.52 -164.05 22.61 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.45 1.094 . . . . 0.0 111.013 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.56 121.31 37.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 0.0 110.025 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.596 ' HB3' ' HB3' ' A' ' 28' ' ' CYS . . . -60.86 -21.93 63.74 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.0 m -119.01 38.1 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 108.273 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.483 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -44.53 164.01 0.18 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.208 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.483 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.5 Cg_endo -75.07 150.9 38.54 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.592 1.838 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.8 p -137.48 -166.99 2.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 110.45 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -28.76 67.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 108.285 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.23 -65.34 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.371 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.481 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 5.6 mt-30 -110.26 98.91 37.87 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.476 ' HB3' HD11 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.07 2.21 6.91 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.99 115.96 20.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.4 m -40.99 161.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.369 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -152.6 39.65 0.56 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.567 1.167 . . . . 0.0 110.361 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.524 HG22 ' N ' ' A' ' 28' ' ' CYS . 4.0 mp 54.32 167.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.24 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.596 ' HB3' ' HB3' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -147.1 -47.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 108.378 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.6 t -174.41 -171.75 0.61 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.453 ' O ' ' CB ' ' A' ' 31' ' ' GLN . 1.8 mtt -88.41 78.82 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.453 ' CB ' ' O ' ' A' ' 30' ' ' MET . 0.9 OUTLIER 164.35 161.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.404 1.065 . . . . 0.0 110.347 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.507 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 4.0 m -86.9 -178.67 6.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 108.26 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.489 ' C ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -133.89 119.89 19.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.339 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.027 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.6 OUTLIER -91.23 117.38 34.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.61 176.13 38.05 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.447 1.092 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 98.1 m -83.86 148.59 26.89 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.431 ' NE2' ' HB2' ' A' ' 10' ' ' ASN . 0.8 OUTLIER -135.54 -177.09 4.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 65.8 m -93.54 131.09 39.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 108.306 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.684 ' CG ' HG13 ' A' ' 8' ' ' VAL . 61.3 mt-30 -66.33 168.42 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -62.5 103.72 0.44 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.4 ' O ' HD23 ' A' ' 52' ' ' LEU . . . 124.16 3.03 8.28 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.529 1.143 . . . . 0.0 111.05 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 28.0 m-85 -133.14 154.47 50.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 0.731 . . . . 0.0 111.055 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.485 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 55.9 mt -129.46 149.95 51.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.455 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -84.66 133.99 34.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.563 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 27.4 p-10 -108.69 146.29 33.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.248 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.461 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.92 -29.02 0.02 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.583 1.177 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.4 OUTLIER -78.96 32.22 0.21 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 0.79 . . . . 0.0 110.233 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.461 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.96 34.15 0.27 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.563 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.61 163.4 15.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.4 m -111.53 100.89 9.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.102 . . . . 0.0 108.324 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.9 m -115.86 141.9 31.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.402 1.064 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 41' ' ' GLY . 0.7 OUTLIER -51.28 156.96 1.75 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.485 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 17.9 Cg_endo -75.04 -29.89 7.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.391 1.732 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -75.21 -6.42 49.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.344 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.23 0.74 16.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.881 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.6 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.401 ' N ' ' OE1' ' A' ' 7' ' ' GLU . . . -100.18 -172.27 29.88 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.522 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.4 Cg_endo -74.98 126.5 10.02 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.574 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 6.1 m-20 83.57 1.8 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.211 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.401 ' OE1' ' N ' ' A' ' 4' ' ' GLY . 24.0 mt-10 -101.61 158.03 16.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 0.0 110.371 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.669 HG13 ' CG ' ' A' ' 39' ' ' GLN . 8.4 m -145.37 152.38 14.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.492 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 0.8 OUTLIER -106.12 129.6 54.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 111.042 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.429 ' OD1' ' CD ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -132.53 131.86 42.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.591 1.182 . . . . 0.0 109.256 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.991 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.2 p -77.98 -4.77 48.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.495 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.51 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 1.0 OUTLIER -153.55 76.91 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 108.333 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.24 176.46 21.82 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.477 1.111 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.91 108.24 5.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 109.999 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.76 -30.49 61.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.608 1.193 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.71 35.78 3.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.237 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.501 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -49.47 164.9 0.3 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 0.0 109.353 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.501 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.5 Cg_endo -74.92 163.16 36.03 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.547 1.814 . . . . 0.0 111.078 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.435 HG23 ' C ' ' A' ' 18' ' ' PRO . 76.2 p -151.88 176.88 11.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.369 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -21.11 12.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 108.352 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.9 -53.42 4.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -113.92 96.39 41.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.74 8.55 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.496 1.787 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -126.45 116.12 20.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.455 ' HB ' ' CD ' ' A' ' 18' ' ' PRO . 7.5 t -99.54 174.92 6.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.435 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.551 ' C ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -175.36 48.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.381 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.551 HD12 ' C ' ' A' ' 26' ' ' ARG . 3.2 mp 57.46 161.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.94 -35.1 6.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 108.345 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.6 t -174.74 -163.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.388 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 ttt -82.91 76.89 9.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 169.21 160.15 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.072 . . . . 0.0 110.354 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.51 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 6.0 m -98.8 -177.28 3.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.488 1.118 . . . . 0.0 108.238 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.474 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -134.18 118.43 17.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.322 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.991 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -85.98 118.45 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.4 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.79 178.95 36.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.492 ' SG ' ' CD2' ' A' ' 9' ' ' PHE . 95.4 m -87.68 138.9 31.06 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.429 ' CD ' ' OD1' ' A' ' 10' ' ' ASN . 12.6 pt20 -127.24 -176.87 3.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 44' ' ' ARG . 59.1 m -93.4 121.18 34.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.426 1.079 . . . . 0.0 108.296 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.669 ' CG ' HG13 ' A' ' 8' ' ' VAL . 39.7 mt-30 -54.18 168.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.317 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -64.84 104.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.416 ' O ' HD23 ' A' ' 52' ' ' LEU . . . 125.06 2.37 7.79 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.432 1.082 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.633 ' O ' HD23 ' A' ' 43' ' ' LEU . 22.9 m-85 -133.15 151.53 51.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 0.75 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.633 HD23 ' O ' ' A' ' 42' ' ' PHE . 30.9 mt -129.57 142.95 50.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.457 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 0.8 OUTLIER -81.07 130.44 35.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' GLY . 15.8 p-10 -96.36 151.69 19.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -33.68 -32.61 0.02 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.473 1.108 . . . . 0.0 111.081 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 45' ' ' ASN . 1.4 tt0 -84.57 36.12 0.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 0.723 . . . . 0.0 110.371 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 36.87 38.1 0.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.436 1.085 . . . . 0.0 111.034 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.472 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -113.4 121.55 44.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.2 m -78.69 95.23 5.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.603 1.189 . . . . 0.0 108.365 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.5 m -115.43 145.86 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.438 ' HG ' ' CD2' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -53.97 156.98 4.62 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.52 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.7 Cg_endo -75.03 -29.83 7.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.78 . . . . 0.0 110.982 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -75.05 -6.14 47.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 110.297 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.23 0.18 15.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.449 -0.522 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.423 ' SG ' ' C ' ' A' ' 8' ' ' VAL . 3.5 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.63 -168.47 20.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.106 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.528 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.97 130.42 13.29 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.509 1.794 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.573 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.3 m-20 83.73 0.88 1.02 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -105.85 165.42 11.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.435 1.084 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.68 HG13 ' CG ' ' A' ' 39' ' ' GLN . 1.4 m -142.41 175.22 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.429 ' CD1' ' SG ' ' A' ' 36' ' ' CYS . 1.6 t80 -122.67 131.93 54.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.499 ' ND2' ' NE2' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -127.41 123.75 36.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.959 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.1 p -79.05 -20.33 49.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.495 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -144.4 79.85 1.62 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 108.291 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -106.92 175.68 20.83 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.517 1.136 . . . . 0.0 110.949 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.9 123.45 18.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.43 0.724 . . . . 0.0 110.017 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.23 -24.19 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.634 1.209 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' O ' ' O ' ' A' ' 17' ' ' ALA . 2.1 m -136.89 53.96 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 108.235 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.583 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -44.47 167.69 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.583 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.4 Cg_endo -74.95 156.79 43.22 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 18' ' ' PRO . 21.1 p -157.44 -171.15 3.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -28.33 69.93 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.437 1.085 . . . . 0.0 108.27 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.75 -41.16 19.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -124.67 90.29 51.14 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.368 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 1.29 7.89 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.507 1.793 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.93 113.5 16.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.9 m -38.72 142.35 0.21 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.55 1.156 . . . . 0.0 110.377 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -155.38 94.7 1.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.291 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.453 ' H ' HD12 ' A' ' 27' ' ' ILE . 2.6 mp -45.08 160.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -123.78 -43.91 2.11 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 124.427 1.079 . . . . 0.0 108.322 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.3 t -155.66 178.67 9.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.57 80.7 9.15 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.548 1.155 . . . . 0.0 111.025 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 176.07 149.86 0.12 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.614 1.196 . . . . 0.0 110.387 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.495 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.2 m -93.46 169.7 10.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 108.34 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.56 HH21 ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -131.63 128.8 39.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 110.338 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.959 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.9 OUTLIER -89.78 121.73 40.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.606 1.191 . . . . 0.0 109.238 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.21 167.43 30.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.454 1.097 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 93.9 m -78.17 146.97 34.73 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.499 ' NE2' ' ND2' ' A' ' 10' ' ' ASN . 7.2 pt20 -134.19 -176.31 4.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.408 ' SG ' ' C ' ' A' ' 43' ' ' LEU . 55.1 m -95.02 128.35 41.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.302 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.68 ' CG ' HG13 ' A' ' 8' ' ' VAL . 30.9 mt-30 -63.67 174.77 1.26 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 110.35 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -66.42 104.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 110.262 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.765 ' O ' HD23 ' A' ' 52' ' ' LEU . . . 124.34 -2.5 8.92 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.527 1.142 . . . . 0.0 111.079 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 8.8 m-85 -129.96 152.61 49.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 0.731 . . . . 0.0 111.102 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 42' ' ' PHE . 17.0 mt -130.57 147.11 52.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.61 1.194 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 4.4 ttp180 -81.73 133.83 35.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.24 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.555 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 27.6 p-10 -109.55 146.47 34.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.352 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.467 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.57 -29.04 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ASN . 2.0 tt0 -79.01 32.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.6 33.74 0.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.594 1.184 . . . . 0.0 111.054 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.555 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.63 160.56 19.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 0.802 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.5 m -108.53 98.31 7.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 108.316 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.8 m -115.1 143.45 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.765 HD23 ' O ' ' A' ' 41' ' ' GLY . 1.0 OUTLIER -50.07 156.55 1.32 Allowed Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.473 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 17.8 Cg_endo -75.15 -29.69 7.74 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -75.29 -7.13 53.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.087 . . . . 0.0 110.181 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -110.55 -0.22 17.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.6 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.13 176.26 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.6 Cg_endo -74.86 126.17 9.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.77 . . . . 0.0 111.09 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.574 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 6.4 m-20 82.04 4.54 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.077 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -103.13 159.74 15.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.714 HG13 ' CG ' ' A' ' 39' ' ' GLN . 16.1 m -144.64 150.23 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.602 1.189 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -99.74 126.25 45.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 111.085 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.699 HD22 ' NE2' ' A' ' 37' ' ' GLN . 2.9 m-80 -124.75 131.72 53.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.962 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -83.51 6.04 21.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.585 1.178 . . . . 0.0 110.362 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.5 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -170.7 77.87 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 108.342 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.26 176.09 16.19 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.556 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 10.8 p -64.46 108.0 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 0.79 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.08 -32.19 54.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 m -114.4 41.92 2.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 108.322 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.715 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -47.19 172.53 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.715 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.4 Cg_endo -74.99 149.68 37.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.3 p -137.01 169.86 17.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -23.93 21.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 108.265 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.25 -42.94 11.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.575 1.172 . . . . 0.0 109.227 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -119.31 80.27 20.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.407 1.067 . . . . 0.0 110.31 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.47 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.92 62.82 5.86 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.75 140.76 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.599 1.187 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 m -66.68 152.12 46.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.411 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.07 87.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mp -40.77 160.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -126.64 -44.81 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 108.305 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.0 p -132.66 -176.69 4.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 110.379 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -94.71 37.55 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.68 171.49 14.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.5 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 5.1 m -98.28 -179.68 4.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 108.317 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.38 119.74 22.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.962 HG23 ' HA ' ' A' ' 11' ' ' THR . 4.1 mt -88.69 120.19 37.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.03 176.75 31.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.592 1.182 . . . . 0.0 110.972 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.9 m -78.53 147.43 33.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.699 ' NE2' HD22 ' A' ' 10' ' ' ASN . 3.7 pt20 -139.33 -179.2 5.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 44' ' ' ARG . 33.8 m -90.67 126.07 35.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 108.282 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.714 ' CG ' HG13 ' A' ' 8' ' ' VAL . 39.5 mt-30 -61.29 168.85 2.43 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.544 1.153 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -64.28 102.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.05 -0.39 6.6 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.43 1.081 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.892 ' O ' HD23 ' A' ' 43' ' ' LEU . 28.2 m-85 -129.95 154.33 47.47 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.477 0.751 . . . . 0.0 110.951 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.892 HD23 ' O ' ' A' ' 42' ' ' PHE . 25.8 mt -132.1 140.23 48.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.441 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 3.3 ttt180 -79.23 130.29 35.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.543 ' O ' ' N ' ' A' ' 48' ' ' GLY . 24.1 p-10 -95.06 152.31 18.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -34.32 -32.06 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.617 1.198 . . . . 0.0 110.96 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -84.82 35.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 0.789 . . . . 0.0 110.288 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 37.88 38.33 0.5 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 0.0 110.951 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.49 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -113.32 120.21 40.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 0.74 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.7 m -77.8 96.12 4.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.108 . . . . 0.0 108.311 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.6 m -118.5 146.87 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.466 ' HG ' ' CD2' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -54.57 156.74 5.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.476 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.2 Cg_endo -74.99 -29.67 7.98 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -75.43 -5.97 47.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -111.85 0.26 16.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.573 1.171 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.1 m . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.93 176.09 0.12 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.57 1.169 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.517 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.4 Cg_endo -74.96 125.84 9.61 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.47 1.774 . . . . 0.0 110.998 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 6.0 m-20 82.8 4.75 0.98 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -104.63 158.04 16.77 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.577 1.173 . . . . 0.0 110.308 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.755 HG13 ' CG ' ' A' ' 39' ' ' GLN . 18.4 m -142.61 154.19 17.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.076 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 2.1 t80 -102.63 127.98 49.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.677 HD22 ' NE2' ' A' ' 37' ' ' GLN . 3.0 m-80 -128.19 138.46 52.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.197 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.834 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -89.25 12.84 14.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 0.0 110.393 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.501 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -178.09 78.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.603 1.19 . . . . 0.0 108.287 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.429 ' O ' ' CG ' ' A' ' 33' ' ' ARG . . . -109.81 165.64 12.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.56 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -45.91 103.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.77 . . . . 0.0 110.017 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.92 -36.93 3.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m -122.1 51.25 1.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 108.253 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.614 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -53.09 168.52 0.34 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.614 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.3 Cg_endo -74.95 157.86 42.73 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.464 1.77 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.0 p -142.16 -176.39 4.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.382 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.6 -28.97 69.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 108.247 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.17 -45.84 14.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.382 1.052 . . . . 0.0 109.344 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -116.86 80.62 11.21 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.469 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.01 62.67 5.91 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.797 . . . . 0.0 111.065 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.3 pttt -179.02 122.36 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.402 1.063 . . . . 0.0 109.353 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 m -42.34 159.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.377 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.26 85.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -44.84 160.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -125.91 -45.58 1.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 108.326 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 30' ' ' MET . 8.8 t -153.33 -171.39 3.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.436 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.408 ' N ' ' OG1' ' A' ' 29' ' ' THR . 3.0 ttm -90.87 51.57 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -145.57 165.94 27.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.501 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 6.2 m -112.84 178.12 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 108.314 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.443 ' NH1' ' O ' ' A' ' 14' ' ' SER . 0.6 OUTLIER -123.79 126.69 46.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.834 HG23 ' HA ' ' A' ' 11' ' ' THR . 1.0 OUTLIER -96.35 116.26 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.88 -177.1 33.15 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.436 1.085 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 66.6 m -78.51 152.53 31.95 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.677 ' NE2' HD22 ' A' ' 10' ' ' ASN . 4.1 pt20 -144.14 -178.16 5.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 61.7 m -91.63 125.81 36.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 108.288 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.755 ' CG ' HG13 ' A' ' 8' ' ' VAL . 41.8 mt-30 -61.85 168.81 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -64.51 102.72 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 110.321 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.06 0.58 6.97 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.45 1.094 . . . . 0.0 111.032 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.754 ' O ' HD23 ' A' ' 43' ' ' LEU . 28.7 m-85 -129.8 153.09 48.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 111.017 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.754 HD23 ' O ' ' A' ' 42' ' ' PHE . 54.3 mt -130.49 138.11 50.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -78.22 130.49 36.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.387 1.054 . . . . 0.0 110.377 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' GLY . 18.8 p-10 -97.53 150.9 20.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -34.14 -31.94 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.555 1.16 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -83.54 34.97 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.594 0.82 . . . . 0.0 110.312 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 37.5 38.09 0.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.602 1.189 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.523 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -114.83 122.42 46.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.535 0.785 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 19.5 m -79.01 96.04 5.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 108.258 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.3 m -116.79 145.43 22.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.698 ' H ' HD12 ' A' ' 52' ' ' LEU . 3.9 mp -52.13 157.23 2.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.523 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.07 -29.34 8.22 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.573 1.828 . . . . 0.0 110.983 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -75.02 -7.48 53.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.345 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -111.14 0.9 17.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.105 . . . . 0.0 109.237 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.423 ' SG ' ' C ' ' A' ' 8' ' ' VAL . 2.6 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.35 -161.23 34.15 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.525 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.4 Cg_endo -75.02 128.74 11.71 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.559 1.82 . . . . 0.0 110.999 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 6.3 m-20 84.8 -0.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -107.81 156.26 19.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.361 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.715 HG13 ' CG ' ' A' ' 39' ' ' GLN . 18.0 m -140.12 160.63 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.417 ' HB2' ' SG ' ' A' ' 3' ' ' CYS . 2.3 t80 -108.8 129.96 55.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.616 1.197 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.465 ' ND2' ' NE2' ' A' ' 37' ' ' GLN . 1.3 m-80 -127.72 127.4 43.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.975 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.1 p -79.33 -13.12 59.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.565 1.166 . . . . 0.0 110.422 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.501 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -150.93 80.51 1.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 108.321 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.8 -179.19 19.57 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.479 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 1.7 p -70.73 111.07 5.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.421 0.718 . . . . 0.0 110.013 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.541 ' HB3' ' HB2' ' A' ' 28' ' ' CYS . . . -58.64 -17.94 26.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -123.99 31.96 5.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 108.322 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -43.93 164.95 0.14 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.505 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.1 Cg_endo -75.0 160.0 40.68 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.444 1.76 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.447 HG23 ' C ' ' A' ' 18' ' ' PRO . 68.7 p -152.23 -173.5 4.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.348 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -20.74 66.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.582 1.177 . . . . 0.0 108.34 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.2 -47.02 8.06 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -119.07 96.27 49.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.93 8.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.439 1.758 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.95 115.34 17.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.47 ' HB ' ' CD ' ' A' ' 18' ' ' PRO . 9.3 t -96.25 173.85 7.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 110.404 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.493 ' C ' HD12 ' A' ' 27' ' ' ILE . 4.9 tmm_? -175.58 48.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.493 HD12 ' C ' ' A' ' 26' ' ' ARG . 2.1 mp 58.03 160.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.541 ' HB2' ' HB3' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -111.42 -34.16 6.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 108.328 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.7 t -172.43 -172.41 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.471 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.76 61.92 1.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 111.068 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -174.96 169.71 3.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.501 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 4.3 m -107.56 176.06 5.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.595 1.185 . . . . 0.0 108.256 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.425 ' NH1' ' HB2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -127.88 128.49 45.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.975 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -95.73 117.24 39.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.364 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.25 175.78 36.21 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 87.9 m -80.52 151.2 29.31 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.465 ' NE2' ' ND2' ' A' ' 10' ' ' ASN . 3.1 pt20 -141.37 179.45 6.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.361 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 89.6 m -90.55 133.47 35.06 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.543 1.152 . . . . 0.0 108.321 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.715 ' CG ' HG13 ' A' ' 8' ' ' VAL . 36.7 mt-30 -73.17 176.1 6.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -66.33 103.48 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.184 . . . . 0.0 110.222 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.89 -0.44 8.41 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 6' ' ' ASN . 14.4 m-85 -131.94 151.84 51.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 0.794 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.482 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 23.6 mt -128.56 150.19 50.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 1.3 tpt180 -84.62 136.29 33.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.544 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 27.1 p-10 -112.62 146.18 39.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.461 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.68 -29.2 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.453 1.096 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.3 OUTLIER -78.69 33.17 0.2 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 0.792 . . . . 0.0 110.321 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.461 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 37.92 33.43 0.15 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.544 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -114.61 165.36 12.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 0.768 . . . . 0.0 109.356 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.4 m -114.27 99.33 7.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 108.294 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.3 m -114.43 143.02 25.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.65 ' H ' HD12 ' A' ' 52' ' ' LEU . 4.1 mp -50.53 156.9 1.38 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.482 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.5 Cg_endo -75.02 -29.16 8.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.466 1.772 . . . . 0.0 110.947 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.22 -8.06 55.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -109.95 -0.03 18.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 109.342 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.2 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.43 178.51 1.52 Allowed Glycine 0 CA--C 1.532 1.107 0 O-C-N 124.51 1.131 . . . . 0.0 110.939 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.99 127.3 10.58 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.539 1.81 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 7.2 m-20 83.25 3.29 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.599 1.187 . . . . 0.0 109.284 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -107.4 158.22 17.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 110.352 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.744 HG13 ' CG ' ' A' ' 39' ' ' GLN . 24.5 m -140.74 160.93 24.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -107.4 127.7 53.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.53 1.144 . . . . 0.0 111.062 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.488 ' ND2' ' NE2' ' A' ' 37' ' ' GLN . 2.4 m-80 -127.61 130.45 49.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.991 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -78.5 -12.67 60.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.394 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.504 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -150.65 79.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 108.249 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.52 176.84 20.4 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.524 1.14 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.417 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 1.7 p -69.69 108.35 3.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.389 0.699 . . . . 0.0 110.001 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.16 -34.07 21.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -115.2 44.08 1.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 108.265 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.715 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -49.73 171.96 0.11 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.715 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.1 Cg_endo -75.01 161.82 38.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.552 1.817 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.508 HG23 ' C ' ' A' ' 18' ' ' PRO . 32.2 p -156.93 179.56 9.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -26.65 50.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 108.332 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.32 -48.88 9.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -115.28 91.57 28.63 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.174 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 1.2 7.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.57 1.826 . . . . 0.0 111.029 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.77 -172.17 2.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.9 m -102.64 140.51 36.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.78 86.45 1.12 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -43.68 159.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.202 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.83 -42.99 2.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.281 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.3 t -168.56 177.86 5.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.36 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.5 mtt -85.63 67.02 9.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.94 125.99 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.504 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.8 m -73.03 175.61 6.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 108.283 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.496 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -130.19 122.18 27.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.354 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.991 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -88.93 117.21 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.87 178.23 35.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.475 1.11 . . . . 0.0 110.974 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 64.4 m -79.15 149.46 31.99 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.488 ' NE2' ' ND2' ' A' ' 10' ' ' ASN . 4.4 pt20 -141.23 -178.74 5.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.5 m -89.89 131.3 35.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 108.253 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.744 ' CG ' HG13 ' A' ' 8' ' ' VAL . 30.5 mt-30 -68.01 168.72 11.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.265 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -63.86 103.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.083 . . . . 0.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.69 0.36 7.22 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.377 1.048 . . . . 0.0 111.027 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.744 ' O ' HD23 ' A' ' 43' ' ' LEU . 33.9 m-85 -129.18 153.28 47.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.744 HD23 ' O ' ' A' ' 42' ' ' PHE . 55.2 mt -130.47 137.81 49.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.388 1.055 . . . . 0.0 109.363 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -78.99 129.21 34.21 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.557 1.161 . . . . 0.0 110.225 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.543 ' O ' ' N ' ' A' ' 48' ' ' GLY . 23.3 p-10 -94.74 151.86 18.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -34.02 -32.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.409 1.068 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 45' ' ' ASN . 5.1 tt0 -84.43 35.8 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 0.745 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 37.23 37.88 0.33 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.481 1.113 . . . . 0.0 111.057 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.505 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -112.48 120.61 42.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.2 m -78.03 95.72 4.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 108.377 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.4 m -117.77 145.49 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.356 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.23 156.92 2.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.512 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.96 -30.21 7.47 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.479 1.778 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -75.01 -6.65 50.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.378 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.22 0.41 16.76 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.45 -0.463 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.863 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.7 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.53 177.11 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.96 126.39 9.96 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.549 1.815 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 5.9 m-20 83.26 3.43 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.4 ' HG2' ' SG ' ' A' ' 50' ' ' CYS . 27.9 mt-10 -103.9 156.52 17.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 m -140.06 152.58 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.4 t80 -103.04 127.04 50.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.419 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 3.7 m-80 -125.24 129.97 51.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 1.029 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -79.28 -6.5 56.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.445 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.515 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 1.7 t -148.93 75.4 1.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.145 . . . . 0.0 108.278 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.64 -152.92 25.47 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.528 1.142 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.01 121.54 45.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.929 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.72 -26.58 67.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 17' ' ' ALA . 17.1 m -123.06 35.58 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.376 1.047 . . . . 0.0 108.302 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.588 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -44.97 168.18 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.359 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.588 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.0 Cg_endo -75.04 157.22 42.74 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.46 1.768 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 18' ' ' PRO . 19.4 p -157.8 -172.92 4.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.427 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -19.68 49.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 108.254 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.98 -49.56 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.443 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 2.8 mp0 -118.89 91.67 43.36 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 110.264 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 2.09 7.02 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 25' ' ' THR . 6.2 pttm -127.35 117.4 22.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.075 . . . . 0.0 109.233 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 24' ' ' LYS . 22.8 m -38.9 158.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.365 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -169.61 88.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 110.334 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 26' ' ' ARG . 2.5 mp -41.17 161.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.402 ' N ' HG22 ' A' ' 27' ' ' ILE . 1.1 m -129.52 -46.65 1.18 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.437 1.086 . . . . 0.0 108.318 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.7 t -151.32 -174.67 4.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.481 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.68 87.48 5.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 170.22 137.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.515 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 9.0 m -73.28 176.88 5.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.637 1.21 . . . . 0.0 108.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.505 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -126.35 116.1 20.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.601 1.188 . . . . 0.0 110.324 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.029 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -87.81 119.03 34.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.52 176.74 32.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 59.8 m -78.19 152.39 32.69 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.419 ' NE2' ' HB2' ' A' ' 10' ' ' ASN . 1.1 pt20 -142.04 -179.29 6.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 95.1 m -93.58 132.21 38.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 108.285 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -69.53 171.96 8.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.252 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -64.57 103.52 0.68 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 110.262 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.97 -3.47 7.93 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 6' ' ' ASN . 17.9 m-85 -127.46 153.03 46.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 0.744 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.483 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 16.7 mt -128.83 150.12 50.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.442 1.089 . . . . 0.0 109.344 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.44 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 4.3 ttp85 -85.26 134.21 34.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 110.392 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.542 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 26.0 p-10 -110.75 146.17 36.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.56 -29.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.5 OUTLIER -78.94 33.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 110.308 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.09 33.13 0.15 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.542 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -113.97 163.01 15.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.418 0.716 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.4 ' SG ' ' HG2' ' A' ' 7' ' ' GLU . 1.4 m -111.85 98.52 7.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.184 . . . . 0.0 108.328 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.9 m -114.59 142.65 26.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.85 156.77 1.54 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.483 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.1 Cg_endo -74.99 -29.9 7.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -75.63 -6.43 50.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 110.335 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.17 -0.67 17.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.376 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.2 t . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.85 -173.23 44.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.073 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 17.8 Cg_endo -75.0 126.41 9.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 111.019 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.568 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.3 m-20 81.92 3.33 1.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -109.57 160.82 15.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.339 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.639 HG13 ' CG ' ' A' ' 39' ' ' GLN . 4.6 m -141.79 177.74 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.5 t80 -125.31 132.21 52.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.031 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -132.41 133.93 44.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.975 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.1 p -81.1 -34.05 32.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.425 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.519 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 1.0 OUTLIER -131.5 77.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 108.259 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.84 169.61 13.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.44 1.088 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.496 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 1.8 p -48.89 103.76 0.05 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.577 0.81 . . . . 0.0 110.032 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.433 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -41.05 -30.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.434 ' N ' ' C ' ' A' ' 14' ' ' SER . 3.6 m -131.81 59.71 1.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.584 1.177 . . . . 0.0 108.279 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.619 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -53.57 168.81 0.36 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.619 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.5 Cg_endo -75.01 157.66 42.62 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.8 p -144.81 -173.34 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.435 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.13 -20.38 65.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 108.235 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.51 -46.29 7.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.434 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 8.9 mm-40 -118.41 87.86 31.88 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 110.259 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 1.46 7.71 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.539 1.81 . . . . 0.0 111.063 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' THR . 3.5 mttm -120.43 114.93 22.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' LYS . 16.6 m -38.38 156.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -166.38 90.38 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.583 1.177 . . . . 0.0 110.284 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.408 ' H ' HD12 ' A' ' 27' ' ' ILE . 2.6 mp -40.6 159.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.401 1.063 . . . . 0.0 109.332 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.1 m -124.57 -44.94 1.95 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.446 1.091 . . . . 0.0 108.306 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.6 t -154.31 -177.17 6.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.082 . . . . 0.0 110.405 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.3 ttm -86.63 60.59 6.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.592 1.183 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -160.75 164.51 31.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.519 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.9 m -101.17 179.81 4.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 108.33 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.433 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -129.63 135.28 48.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.373 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.975 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.4 OUTLIER -105.74 121.07 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.19 177.92 31.73 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 95.1 m -80.73 146.17 31.17 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -134.5 -178.57 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 44' ' ' ARG . 66.8 m -91.13 125.16 35.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 108.343 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.639 ' CG ' HG13 ' A' ' 8' ' ' VAL . 41.9 mt-30 -56.87 166.93 0.87 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.593 1.183 . . . . 0.0 110.251 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -63.97 103.11 0.55 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.86 2.01 7.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.718 ' O ' HD23 ' A' ' 43' ' ' LEU . 37.9 m-85 -130.95 153.81 48.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 0.784 . . . . 0.0 111.056 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 42' ' ' PHE . 66.8 mt -131.51 139.41 49.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.386 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.451 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 3.3 ttm180 -78.7 131.66 36.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 18.2 p-10 -99.4 150.51 22.09 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.602 1.189 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -33.86 -32.06 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.588 1.18 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' ' 45' ' ' ASN . 1.0 OUTLIER -83.44 35.63 0.51 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.451 0.736 . . . . 0.0 110.353 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 36.81 37.43 0.23 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.515 1.134 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.54 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -114.83 123.44 49.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.1 m -79.8 97.3 6.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 108.266 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 m -117.58 145.3 23.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.241 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.06 156.77 1.64 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.52 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.04 -30.4 7.14 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.517 1.799 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -75.11 -6.42 49.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.385 1.053 . . . . 0.0 110.362 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -111.54 1.13 16.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.914 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.52 -164.37 38.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.6 Cg_endo -74.92 131.18 14.09 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.771 . . . . 0.0 111.047 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.549 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.0 m-20 83.54 1.18 1.04 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -109.01 160.22 16.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.157 . . . . 0.0 110.243 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.658 HG13 ' CG ' ' A' ' 39' ' ' GLN . 15.7 m -138.41 178.61 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -124.61 130.99 53.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.413 ' O ' ' HA ' ' A' ' 34' ' ' ILE . 1.1 m-80 -125.3 120.73 32.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.995 ' HA ' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -82.72 -9.21 59.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 110.431 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.515 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 1.4 t -159.65 74.74 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 108.297 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 14' ' ' SER . . . -116.85 171.92 14.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.541 1.15 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.446 ' C ' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -38.75 106.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 0.78 . . . . 0.0 110.011 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.468 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -40.94 -29.7 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.446 ' N ' ' C ' ' A' ' 14' ' ' SER . 1.6 m -135.18 58.47 1.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.092 . . . . 0.0 108.239 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.597 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -48.93 167.55 0.21 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.597 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.2 Cg_endo -75.11 162.78 36.3 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.504 HG23 ' C ' ' A' ' 18' ' ' PRO . 23.9 p -157.09 -172.77 4.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.367 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.3 -21.8 60.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.322 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.01 -51.74 5.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -115.06 93.25 34.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.331 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.96 8.28 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.54 1.811 . . . . 0.0 110.99 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 25' ' ' THR . 3.7 pttt -126.72 113.4 16.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 24' ' ' LYS . 4.1 m -38.34 150.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 110.431 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -160.2 95.23 1.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.076 . . . . 0.0 110.322 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.403 ' H ' HD12 ' A' ' 27' ' ' ILE . 2.6 mp -40.52 159.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.225 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.06 -43.32 2.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 108.213 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.5 t -161.95 -174.78 4.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.459 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.38 82.39 8.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.959 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 172.23 161.38 0.11 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 110.244 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.515 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.4 m -94.99 176.33 6.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 108.307 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.468 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -129.58 132.77 46.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.995 HG23 ' HA ' ' A' ' 11' ' ' THR . 1.3 mt -100.2 120.45 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.18 166.08 24.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.438 1.086 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 73.3 m -74.76 138.89 42.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.644 ' HG3' HG23 ' A' ' 8' ' ' VAL . 11.9 pt20 -121.15 -179.39 4.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.413 ' SG ' ' C ' ' A' ' 43' ' ' LEU . 63.3 m -97.34 128.4 44.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 108.214 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.658 ' CG ' HG13 ' A' ' 8' ' ' VAL . 3.8 mm-40 -60.91 173.42 0.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.91 102.28 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.385 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.787 ' O ' HD23 ' A' ' 52' ' ' LEU . . . 125.56 -1.19 8.08 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 16.0 m-85 -129.24 153.0 48.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 14.3 mt -129.62 150.21 51.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.432 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -85.56 132.79 34.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.565 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 29.0 p-10 -109.1 146.55 33.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 109.209 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.466 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -36.47 -28.33 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.559 1.162 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 45' ' ' ASN . 1.3 tt0 -79.03 31.82 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 0.803 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 39.0 34.29 0.29 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.565 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -116.03 160.59 20.08 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.4 m -110.06 97.51 6.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.41 1.069 . . . . 0.0 108.258 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.5 m -115.22 144.02 23.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.787 HD23 ' O ' ' A' ' 41' ' ' GLY . 1.1 mt -49.51 156.5 1.12 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.472 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.0 Cg_endo -75.01 -29.91 7.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -75.28 -7.02 52.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.46 -0.67 17.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.8 m . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.46 -173.35 35.32 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.485 1.116 . . . . 0.0 111.07 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.518 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.3 Cg_endo -74.97 126.42 9.97 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.447 1.762 . . . . 0.0 110.968 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.562 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.3 m-20 83.11 2.98 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' A' ' 5' ' ' PRO . 1.0 OUTLIER -107.48 163.81 12.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.667 HG13 ' CG ' ' A' ' 39' ' ' GLN . 3.6 m -142.85 177.14 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.496 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.5 t80 -129.14 136.32 50.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.593 1.183 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.436 ' OD1' ' NE2' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -135.99 131.82 35.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 1.005 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.2 p -82.28 -13.64 56.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.595 1.184 . . . . 0.0 110.355 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.498 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -148.14 79.8 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 108.286 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.59 169.31 12.82 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -50.34 107.74 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 0.754 . . . . 0.0 110.037 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.426 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -41.41 -31.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' N ' ' C ' ' A' ' 14' ' ' SER . 1.7 m -133.14 57.87 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 108.259 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.624 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -51.37 168.72 0.25 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.384 1.052 . . . . 0.0 109.204 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.624 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.6 Cg_endo -74.94 159.19 41.88 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.427 1.751 . . . . 0.0 111.098 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.423 HG23 ' C ' ' A' ' 18' ' ' PRO . 40.6 p -151.66 -166.12 2.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 110.357 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -20.44 66.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.432 1.082 . . . . 0.0 108.288 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.41 -51.12 5.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.438 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 17.4 mt-30 -116.17 93.61 39.5 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.358 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.86 1.53 7.56 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.475 1.777 . . . . 0.0 111.03 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' THR . 5.4 mtmm -125.75 116.96 22.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 24' ' ' LYS . 2.5 m -36.73 153.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -161.7 92.01 0.85 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 110.371 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' ARG . 2.1 mp -41.31 161.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -128.51 -45.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 108.284 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.8 t -159.46 163.22 35.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.371 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.478 ' O ' ' CB ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -69.39 90.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 111.081 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 30' ' ' MET . 0.6 OUTLIER 161.85 133.75 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.445 1.091 . . . . 0.0 110.41 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.498 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 4.1 m -68.74 179.07 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 108.379 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.426 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -132.03 132.25 43.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.18 . . . . 0.0 110.262 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.005 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -97.61 118.25 43.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.79 175.78 38.49 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.63 1.206 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.496 ' SG ' ' CD2' ' A' ' 9' ' ' PHE . 99.6 m -85.32 141.92 29.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.507 ' HG3' HG23 ' A' ' 8' ' ' VAL . 3.7 pt20 -125.68 -174.77 3.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.392 1.057 . . . . 0.0 110.338 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 66.2 m -95.95 132.38 41.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 108.255 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.667 ' CG ' HG13 ' A' ' 8' ' ' VAL . 70.1 mt-30 -65.68 168.28 7.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.278 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.93 102.76 0.38 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.086 . . . . 0.0 110.19 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.83 1.37 8.19 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 28.4 m-85 -131.2 153.65 49.23 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.55 0.794 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.485 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 21.2 mt -130.0 148.06 51.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -83.09 135.36 34.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.35 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.555 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 26.1 p-10 -111.8 146.19 38.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.456 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.47 -29.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.2 OUTLIER -79.04 33.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.791 . . . . 0.0 110.349 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 37.53 34.11 0.14 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.401 1.063 . . . . 0.0 111.055 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.555 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.55 161.15 19.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.783 . . . . 0.0 109.28 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 m -110.04 98.94 8.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.623 1.202 . . . . 0.0 108.3 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.3 m -114.22 142.8 25.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.172 . . . . 0.0 109.248 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.48 156.71 1.43 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.413 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.485 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.08 -29.98 7.53 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 110.953 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -75.53 -6.12 48.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.03 0.24 16.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.857 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 9' ' ' PHE . 10.7 m . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.445 ' N ' ' OE1' ' A' ' 7' ' ' GLU . . . -53.5 -169.92 0.03 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.601 1.188 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.5 Cg_endo -74.95 125.94 9.68 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.491 1.785 . . . . 0.0 111.062 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.579 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 8.4 m-20 82.44 1.76 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 4' ' ' GLY . 15.8 mt-10 -102.97 157.16 17.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.086 . . . . 0.0 110.321 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.631 HG13 ' CG ' ' A' ' 39' ' ' GLN . 7.5 m -146.04 146.33 19.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.409 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 2.9 t80 -92.31 124.58 36.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 111.031 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.426 ' O ' ' HA ' ' A' ' 34' ' ' ILE . 0.4 OUTLIER -120.83 121.15 37.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.974 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.1 p -75.98 -20.09 58.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.415 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.493 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -146.28 79.67 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 108.233 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.62 173.94 17.42 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.691 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -59.53 105.19 0.33 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 0.738 . . . . 0.0 109.948 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.02 -29.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.45 ' N ' ' C ' ' A' ' 14' ' ' SER . 22.1 m -131.99 58.14 1.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 108.265 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.691 ' HB2' ' OG ' ' A' ' 14' ' ' SER . . . -61.7 169.38 2.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.183 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.643 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.7 Cg_endo -74.89 161.54 38.86 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.394 1.734 . . . . 0.0 111.072 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 18' ' ' PRO . 7.7 p -158.21 -176.15 5.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.41 ' N ' ' HB3' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -55.37 -28.44 53.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 108.254 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.25 -50.07 9.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -115.82 90.88 28.65 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.59 1.181 . . . . 0.0 110.308 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.16 1.37 7.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.468 1.773 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.11 114.18 19.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.589 1.181 . . . . 0.0 109.245 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.7 m -41.49 153.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.28 86.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.469 HD13 ' N ' ' A' ' 27' ' ' ILE . 5.3 mm -44.08 159.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 O-C-N 124.544 1.153 . . . . 0.0 109.259 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.413 ' O ' ' HB ' ' A' ' 29' ' ' THR . 0.9 OUTLIER -114.02 -36.74 4.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 108.274 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 28' ' ' CYS . 13.3 t -175.31 -162.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.428 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -91.87 92.25 8.27 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.472 1.108 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 171.91 168.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.209 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.493 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 3.2 m -119.06 172.61 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 108.293 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.455 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -131.24 130.02 42.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.376 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.974 HG23 ' HA ' ' A' ' 11' ' ' THR . 1.0 OUTLIER -94.13 119.44 42.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.22 167.94 26.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 78.7 m -71.36 146.09 49.0 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -137.19 -176.92 4.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.415 1.072 . . . . 0.0 110.263 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 89.0 m -96.15 129.51 43.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.602 1.189 . . . . 0.0 108.314 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.631 ' CG ' HG13 ' A' ' 8' ' ' VAL . 37.9 mt-30 -68.26 172.37 5.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.582 1.176 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -64.98 104.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 110.343 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.801 ' O ' HD23 ' A' ' 52' ' ' LEU . . . 126.07 -2.63 7.86 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.562 1.164 . . . . 0.0 111.058 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 19.4 m-85 -128.8 153.72 47.13 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.509 0.77 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.482 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 17.8 mt -128.7 147.77 50.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.593 1.183 . . . . 0.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.44 ' HB3' ' CG2' ' A' ' 19' ' ' THR . 14.5 ttt180 -85.48 132.26 34.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.428 1.08 . . . . 0.0 110.249 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.559 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 26.3 p-10 -107.79 146.39 32.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.457 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.45 -29.3 0.01 OUTLIER Glycine 0 CA--C 1.528 0.879 0 O-C-N 124.486 1.117 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.3 OUTLIER -79.15 32.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 0.713 . . . . 0.0 110.313 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.457 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.23 34.2 0.21 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.559 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -114.42 157.82 22.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 0.73 . . . . 0.0 109.264 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 m -107.71 98.05 7.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 108.296 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.7 m -115.49 142.08 30.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.801 HD23 ' O ' ' A' ' 41' ' ' GLY . 1.0 OUTLIER -50.02 157.01 1.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.606 1.191 . . . . 0.0 109.325 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.482 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.08 -29.52 8.01 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -75.4 -6.92 52.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 110.258 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.52 0.16 17.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.919 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.06 -171.61 26.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.594 1.184 . . . . 0.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.96 127.59 10.84 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.431 1.753 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.57 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 7.2 m-20 81.62 2.3 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -105.77 160.05 15.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.162 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.611 HG13 ' CG ' ' A' ' 39' ' ' GLN . 1.7 m -139.46 177.14 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.174 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.425 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.5 t80 -129.27 134.34 47.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -133.96 133.88 41.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 1.002 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.2 p -85.79 -0.83 56.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 110.363 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.493 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -161.28 78.57 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 108.29 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.01 166.25 13.55 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.366 1.041 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.02 106.75 0.18 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.433 0.725 . . . . 0.0 109.974 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.449 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -52.57 -31.26 35.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.133 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.1 m -116.53 41.43 2.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 108.314 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.678 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -47.61 171.07 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.244 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.678 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.2 Cg_endo -75.06 164.46 33.21 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.41 1.742 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 18' ' ' PRO . 17.1 p -156.24 -173.63 4.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.423 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -23.53 65.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 108.379 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.81 -39.69 19.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.402 1.064 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -129.74 92.03 38.62 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.12 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.467 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 18.1 Cg_endo -75.04 60.18 5.4 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.548 1.815 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 23' ' ' PRO . 0.0 OUTLIER 179.29 143.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.844 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.0 m -65.99 162.89 18.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 110.448 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -175.3 80.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.626 1.204 . . . . 0.0 110.339 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.411 ' O ' ' O ' ' A' ' 26' ' ' ARG . 1.9 mp -39.02 157.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 m -121.86 -43.5 2.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 0.0 108.287 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -151.27 165.76 33.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.399 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 ptm -75.37 55.26 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.067 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -156.5 124.85 5.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.357 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.493 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.9 m -64.89 178.96 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.229 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.449 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -132.68 129.87 39.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 1.083 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.002 HG23 ' HA ' ' A' ' 11' ' ' THR . 1.8 mt -94.98 118.44 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.3 177.59 38.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.128 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 74.1 m -83.73 147.93 27.36 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -134.17 -177.29 4.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.384 1.053 . . . . 0.0 110.279 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 86.4 m -93.41 128.33 39.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 108.268 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.611 ' CG ' HG13 ' A' ' 8' ' ' VAL . 62.8 mt-30 -63.13 169.12 3.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -63.62 103.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.283 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.6 2.06 8.19 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 26.2 m-85 -132.18 154.93 49.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 0.767 . . . . 0.0 111.081 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.487 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 37.0 mt -130.83 152.68 49.9 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.585 1.178 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 5.8 ttp85 -84.94 136.83 33.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.532 ' O ' ' N ' ' A' ' 47' ' ' GLU . 27.8 p-10 -112.42 146.41 38.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -36.04 -28.76 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.575 1.172 . . . . 0.0 111.064 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -79.15 32.94 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 0.754 . . . . 0.0 110.297 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.464 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.04 34.35 0.2 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 111.052 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.528 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -116.74 163.92 15.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 0.736 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.79 101.11 9.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 108.309 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.6 m -116.24 144.48 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.54 156.17 2.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.487 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.05 -29.99 7.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -75.4 -6.48 50.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.579 ' O ' ' O ' ' A' ' 56' ' ' CYS . 0.9 OUTLIER -110.91 -0.87 16.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.579 ' O ' ' O ' ' A' ' 55' ' ' ASN . 1.8 t . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' GLY . 60.7 m . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 3' ' ' CYS . . . -48.14 178.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.123 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.5 Cg_endo -74.99 126.65 10.11 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.532 1.806 . . . . 0.0 111.061 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.564 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 6.9 m-20 82.84 3.33 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.414 1.072 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -107.19 161.81 14.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.27 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.637 HG13 ' CG ' ' A' ' 39' ' ' GLN . 6.6 m -141.45 177.14 3.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -124.26 132.96 53.61 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -132.11 131.96 42.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.958 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -81.87 -11.84 58.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.415 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.514 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 1.8 t -148.41 73.91 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.6 1.188 . . . . 0.0 108.241 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.49 -178.81 22.43 Favored Glycine 0 CA--C 1.528 0.867 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.8 114.81 15.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.394 0.703 . . . . 0.0 110.017 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.45 -27.0 62.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 17' ' ' ALA . 1.6 m -119.18 40.74 3.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 108.272 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.595 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -45.03 168.4 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.595 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.1 Cg_endo -75.06 161.02 39.26 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.434 HG23 ' C ' ' A' ' 18' ' ' PRO . 26.1 p -152.85 -179.82 7.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.419 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -20.17 15.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 108.38 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.01 -48.25 6.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.158 . . . . 0.0 109.283 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 2.9 mt-30 -116.37 88.79 24.58 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 1.32 7.89 Favored 'Trans proline' 0 C--N 1.362 1.24 0 O-C-N 124.455 1.766 . . . . 0.0 111.045 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -120.74 114.01 21.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.3 m -42.18 162.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.78 99.06 0.18 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.564 1.165 . . . . 0.0 110.42 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.464 HG13 ' N ' ' A' ' 28' ' ' CYS . 0.5 OUTLIER -47.0 150.66 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.464 ' N ' HG13 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -116.36 -36.37 4.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 108.252 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.1 t -156.27 -179.96 8.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.62 1.2 . . . . 0.0 110.363 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.18 41.36 1.0 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -145.05 141.66 29.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.591 1.182 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.514 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.9 m -76.46 -177.04 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 108.366 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.497 ' C ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -135.65 122.93 21.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.958 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.3 OUTLIER -91.82 116.11 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.61 178.17 37.8 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 86.0 m -81.72 150.55 27.92 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -139.59 -177.64 5.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 61.3 m -90.76 123.27 34.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.307 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.637 ' CG ' HG13 ' A' ' 8' ' ' VAL . 72.9 mt-30 -49.88 166.47 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.327 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -66.93 101.68 0.87 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 110.28 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.528 ' O ' HD23 ' A' ' 52' ' ' LEU . . . 126.96 1.71 6.78 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.436 1.085 . . . . 0.0 110.954 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.767 ' O ' HD23 ' A' ' 43' ' ' LEU . 46.2 m-85 -125.8 154.43 42.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.767 HD23 ' O ' ' A' ' 42' ' ' PHE . 47.9 mt -129.88 138.52 50.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 0.0 109.311 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -78.6 129.07 34.37 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.44 1.088 . . . . 0.0 110.355 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' GLY . 21.0 p-10 -96.0 151.07 19.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -34.37 -31.67 0.02 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.476 1.11 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' ASN . 1.0 OUTLIER -83.79 34.65 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 110.313 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 37.74 38.55 0.49 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.536 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.16 122.06 44.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.3 m -78.67 95.77 5.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 108.263 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.5 m -117.31 145.08 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.528 HD23 ' O ' ' A' ' 41' ' ' GLY . 0.9 OUTLIER -52.3 157.1 2.49 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.524 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.1 Cg_endo -75.04 -29.64 7.94 Favored 'Trans proline' 0 C--N 1.361 1.233 0 O-C-N 124.506 1.793 . . . . 0.0 110.982 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -75.21 -6.65 50.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.255 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.54 0.92 16.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.919 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.0 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.84 -174.4 1.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.555 1.159 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.7 Cg_endo -74.94 125.85 9.62 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.413 1.744 . . . . 0.0 111.074 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.567 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 5.9 m-20 82.31 3.35 1.21 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.158 . . . . 0.0 109.353 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -104.16 164.44 11.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.255 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.69 HG13 ' CG ' ' A' ' 39' ' ' GLN . 4.8 m -143.98 179.54 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.43 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.6 t80 -129.85 136.02 49.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.458 ' OD1' ' NE2' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -134.06 134.31 42.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.389 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 1.035 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -85.13 -7.25 59.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.392 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.516 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -154.13 81.87 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 108.298 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.38 -178.22 20.78 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.115 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.683 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -76.02 107.59 8.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 0.798 . . . . 0.0 110.028 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.9 -23.23 2.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.419 ' N ' ' HB2' ' A' ' 28' ' ' CYS . 0.8 OUTLIER -128.66 47.02 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 108.254 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.683 ' HB2' ' OG ' ' A' ' 14' ' ' SER . . . -64.1 168.43 6.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.605 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.2 Cg_endo -75.03 154.89 42.67 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.527 1.804 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.439 HG23 ' C ' ' A' ' 18' ' ' PRO . 23.0 p -153.46 -179.67 7.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.365 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -23.52 67.44 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.453 1.095 . . . . 0.0 108.328 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.98 -58.78 3.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -137.34 90.68 15.0 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.527 ' HA ' ' CB ' ' A' ' 18' ' ' PRO . 18.0 Cg_endo -75.03 60.81 5.56 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.539 1.81 . . . . 0.0 110.923 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.05 122.27 15.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.64 HG23 ' HA ' ' A' ' 17' ' ' ALA . 1.3 m -97.27 141.46 30.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.379 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.684 ' C ' HD12 ' A' ' 27' ' ' ILE . 0.6 OUTLIER -175.49 41.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.584 1.178 . . . . 0.0 110.271 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.684 HD12 ' C ' ' A' ' 26' ' ' ARG . 3.2 mp 53.97 169.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.408 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.51 ' N ' HG22 ' A' ' 27' ' ' ILE . 0.5 OUTLIER -132.51 -47.13 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 108.319 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.9 p -140.11 -167.46 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.424 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.9 mtt -92.11 55.73 2.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 110.967 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 176.77 167.16 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 110.262 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.516 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 8.7 m -86.15 174.68 8.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.392 1.057 . . . . 0.0 108.291 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.478 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -124.49 125.47 44.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.38 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.035 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -92.33 121.2 42.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.78 176.78 38.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 57.7 m -83.91 142.52 30.49 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.476 ' HG3' HG23 ' A' ' 8' ' ' VAL . 3.4 pt20 -127.0 -171.3 2.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 44' ' ' ARG . 63.8 m -102.61 132.2 48.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 108.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.69 ' CG ' HG13 ' A' ' 8' ' ' VAL . 11.6 mt-30 -64.35 171.34 3.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -64.08 111.04 2.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.412 1.07 . . . . 0.0 110.322 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.76 -2.77 21.45 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 42.9 m-85 -125.12 157.28 36.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.491 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 12.1 mt -130.87 153.7 48.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.374 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.46 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -85.11 115.24 22.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.629 1.206 . . . . 0.0 110.313 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.655 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.4 p-10 -92.67 135.24 34.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.08 . . . . 0.0 109.401 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -54.91 -7.55 1.08 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.476 ' H ' ' C ' ' A' ' 45' ' ' ASN . 3.1 tt0 -73.87 -0.9 17.41 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.511 0.771 . . . . 0.0 110.417 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.25 35.91 16.31 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.414 1.072 . . . . 0.0 111.002 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.655 ' HB3' HD21 ' A' ' 45' ' ' ASN . . . -154.0 -176.92 6.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 4.6 m -120.29 117.3 27.45 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 108.249 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.587 HG22 ' HB3' ' A' ' 45' ' ' ASN . 29.5 m -125.21 143.36 39.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mp -50.65 156.76 1.47 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.491 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.96 -29.25 8.5 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.555 1.818 . . . . 0.0 111.037 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.69 -7.48 54.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -109.77 -0.88 18.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.259 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.449 -0.504 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.4 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.71 -174.27 42.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.492 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.1 Cg_endo -75.08 125.69 9.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.597 1.84 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.576 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 5.4 m-20 83.21 2.29 1.03 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -101.13 160.94 13.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.618 HG13 ' CG ' ' A' ' 39' ' ' GLN . 5.9 m -146.48 153.85 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.429 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.441 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.0 OUTLIER -108.46 129.33 55.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.418 ' OD1' ' CD ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -131.61 134.78 46.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.983 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.3 p -81.61 -4.24 55.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.465 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.505 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.6 OUTLIER -157.47 80.6 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 108.265 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.6 172.77 14.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.115 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.508 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 6.8 p -58.49 107.91 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 109.951 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.466 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -52.45 -33.03 42.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.227 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m -117.54 45.82 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.292 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.64 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -46.0 169.74 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.64 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.2 Cg_endo -75.04 154.84 42.61 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.544 1.813 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 44' ' ' ARG . 39.5 p -144.67 177.31 8.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -23.6 49.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 108.284 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.19 -46.65 9.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.386 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -118.19 86.57 27.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 1.97 7.17 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.532 1.806 . . . . 0.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.94 112.1 19.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 m -39.15 155.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.53 92.26 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.593 1.183 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.458 ' H ' HD12 ' A' ' 27' ' ' ILE . 2.7 mp -43.71 158.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -124.07 -44.73 2.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 108.318 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.2 p -135.61 -173.94 3.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.389 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.0 mtp -99.3 35.77 1.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 111.053 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.87 157.45 44.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.505 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.8 m -82.02 178.55 8.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 108.263 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.491 ' C ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -132.86 123.98 27.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.983 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -88.73 117.85 32.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.79 179.41 38.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.429 1.08 . . . . 0.0 110.962 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.441 ' SG ' ' CD2' ' A' ' 9' ' ' PHE . 72.3 m -86.15 145.22 27.11 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.418 ' CD ' ' OD1' ' A' ' 10' ' ' ASN . 14.8 pt20 -134.93 -175.63 3.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.1 m -93.61 128.38 39.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 108.329 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.618 ' CG ' HG13 ' A' ' 8' ' ' VAL . 23.9 mt-30 -61.36 168.42 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.09 103.26 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.56 0.23 7.31 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.805 ' O ' HD23 ' A' ' 43' ' ' LEU . 43.8 m-85 -127.98 154.17 45.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.801 . . . . 0.0 111.046 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.805 HD23 ' O ' ' A' ' 42' ' ' PHE . 44.2 mt -130.57 136.36 48.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.153 . . . . 0.0 109.243 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.41 ' O ' ' HB ' ' A' ' 19' ' ' THR . 4.4 ttt180 -77.82 128.4 33.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.552 ' O ' ' N ' ' A' ' 48' ' ' GLY . 23.9 p-10 -93.01 152.43 19.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -33.86 -32.45 0.02 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.547 1.155 . . . . 0.0 110.977 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 45' ' ' ASN . 2.0 tp10 -85.21 36.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 37.47 38.17 0.4 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.487 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -111.8 117.96 34.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 54.2 m -75.74 95.37 3.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 108.366 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.6 m -117.99 145.5 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.688 ' H ' HD12 ' A' ' 52' ' ' LEU . 4.4 mp -52.97 157.1 3.01 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.366 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.503 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.03 -29.18 8.46 Favored 'Trans proline' 0 C--N 1.358 1.065 0 O-C-N 124.571 1.827 . . . . 0.0 111.06 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -75.26 -7.25 53.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.84 0.23 17.14 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.4 m . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.26 179.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.518 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.4 Cg_endo -75.02 125.59 9.41 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.551 1.816 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 6.1 m-20 82.87 4.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -94.41 160.38 14.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.595 HG13 ' CG ' ' A' ' 39' ' ' GLN . 2.8 m -146.75 135.95 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.503 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.2 t80 -94.14 131.63 39.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.103 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.422 ' OD1' ' CD ' ' A' ' 37' ' ' GLN . 8.5 m120 -130.77 131.44 44.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.557 1.16 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 1.014 ' HA ' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -86.26 12.43 9.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.508 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 1.0 OUTLIER -178.35 76.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 108.297 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -115.55 172.89 14.44 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.577 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 1.3 p -41.2 106.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 0.751 . . . . 0.0 109.953 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.455 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -40.47 -33.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 m -132.64 57.08 1.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 108.277 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.592 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -46.19 167.68 0.13 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.388 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.592 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.1 Cg_endo -75.08 159.55 40.96 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.51 1.795 . . . . 0.0 110.992 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.604 ' O ' HD13 ' A' ' 43' ' ' LEU . 24.5 p -151.48 -167.72 2.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.167 . . . . 0.0 110.346 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.47 -20.71 61.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.135 . . . . 0.0 108.3 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.22 -37.11 16.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.436 1.085 . . . . 0.0 109.193 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -130.73 86.41 52.66 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 61.37 5.68 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.607 1.846 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.34 143.02 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.375 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.7 m -63.35 151.14 41.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.432 1.082 . . . . 0.0 110.484 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.37 84.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.263 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.478 HD13 ' N ' ' A' ' 27' ' ' ILE . 5.0 mm -41.05 159.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -113.1 -33.92 5.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 108.278 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.8 t -174.07 163.12 3.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.394 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.438 ' O ' ' CB ' ' A' ' 31' ' ' GLN . 7.4 ttp -58.27 92.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.438 ' CB ' ' O ' ' A' ' 30' ' ' MET . 3.9 mt-30 164.7 165.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.508 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.5 m -104.09 176.1 5.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 108.349 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.455 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -132.44 116.97 17.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.229 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.014 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.9 OUTLIER -83.94 122.71 38.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.24 173.9 31.48 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.554 1.159 . . . . 0.0 111.056 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.503 ' SG ' ' CD2' ' A' ' 9' ' ' PHE . 63.6 m -84.99 140.54 30.98 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.422 ' CD ' ' OD1' ' A' ' 10' ' ' ASN . 4.1 pt20 -128.23 -173.42 2.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.375 1.047 . . . . 0.0 110.262 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 43' ' ' LEU . 92.5 m -98.65 131.61 44.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 108.302 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.595 ' CG ' HG13 ' A' ' 8' ' ' VAL . 28.7 mt-30 -69.85 172.01 8.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.672 1.232 . . . . 0.0 110.297 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -63.15 102.89 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.336 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.91 4.31 7.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 6' ' ' ASN . 10.3 m-85 -137.35 150.56 47.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 0.727 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' ' 19' ' ' THR . 11.7 mt -128.45 149.89 50.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.367 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.431 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 38.7 ttp180 -85.12 133.89 34.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.559 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 26.4 p-10 -110.15 146.35 35.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.46 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.56 -29.29 0.02 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.497 1.123 . . . . 0.0 111.073 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 45' ' ' ASN . 2.0 tt0 -78.9 32.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 0.741 . . . . 0.0 110.374 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.36 34.41 0.23 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.555 1.16 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.559 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.95 159.07 22.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.81 97.26 6.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 108.308 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.6 m -111.3 142.66 23.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.086 . . . . 0.0 109.234 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.59 156.43 0.85 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.363 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -30.19 7.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.442 1.759 . . . . 0.0 111.045 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -75.51 -6.78 51.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.417 1.073 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.31 0.4 18.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.869 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.8 -172.62 42.44 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.556 1.16 . . . . 0.0 111.083 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.1 Cg_endo -75.01 126.06 9.71 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.624 1.855 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.587 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 7.8 m-20 82.21 3.45 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -106.6 158.02 17.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.668 HG13 ' CG ' ' A' ' 39' ' ' GLN . 16.3 m -142.15 163.53 18.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -114.44 129.38 56.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.96 137.85 52.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 1.009 ' HA ' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -86.29 -13.13 47.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.446 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.49 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -150.18 80.07 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 108.37 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.47 173.24 17.63 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.588 1.18 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.662 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -59.36 102.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 110.04 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.66 -30.59 0.64 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.7 m -127.47 56.56 1.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 108.274 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.662 ' HB2' ' OG ' ' A' ' 14' ' ' SER . . . -62.95 168.3 4.82 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.612 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.4 Cg_endo -75.04 161.24 38.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.792 . . . . 0.0 111.066 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 18' ' ' PRO . 14.1 p -153.82 -179.39 7.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.422 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -24.6 42.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 108.314 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.26 -47.67 8.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -116.73 88.66 25.92 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 1.96 7.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 111.052 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -120.75 113.39 20.11 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 109.317 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 m -48.55 154.66 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.382 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.46 92.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.328 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.506 ' H ' HD12 ' A' ' 27' ' ' ILE . 2.9 mp -40.98 160.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -123.65 -44.02 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 108.298 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.43 HG23 ' HB2' ' A' ' 31' ' ' GLN . 15.0 t -171.54 169.76 5.99 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.461 1.101 . . . . 0.0 110.355 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.443 ' CG ' ' O ' ' A' ' 30' ' ' MET . 3.0 ptp -68.95 63.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 111.061 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.43 ' HB2' HG23 ' A' ' 29' ' ' THR . 6.5 mm-40 -153.18 164.95 37.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.113 . . . . 0.0 110.372 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.49 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 3.7 m -120.39 174.39 6.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 108.329 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.53 131.9 45.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.009 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -95.99 120.0 44.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.59 177.69 35.81 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.115 . . . . 0.0 110.95 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 77.1 m -81.71 150.22 28.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -141.32 -178.06 5.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 110.242 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 87.4 m -91.82 133.7 35.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.094 . . . . 0.0 108.26 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.668 ' CG ' HG13 ' A' ' 8' ' ' VAL . 39.4 mt-30 -69.92 175.69 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.253 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -67.46 102.74 1.17 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.503 1.127 . . . . 0.0 110.235 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.83 -3.45 8.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.423 1.077 . . . . 0.0 111.019 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.587 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 13.2 m-85 -127.3 151.52 48.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 0.734 . . . . 0.0 110.977 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 16.4 mt -128.41 150.42 50.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.442 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 2.6 tmm_? -84.62 135.01 34.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.337 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.558 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 26.4 p-10 -111.67 146.03 38.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.457 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.8 -29.24 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.416 1.072 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -78.96 33.38 0.22 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.453 0.737 . . . . 0.0 110.355 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.457 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 37.78 34.36 0.17 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.558 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.52 163.42 15.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.382 0.695 . . . . 0.0 109.239 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -111.92 97.69 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 108.428 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.7 m -113.95 142.37 26.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mp -50.61 156.98 1.38 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.634 1.209 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.476 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.1 Cg_endo -75.07 -29.84 7.7 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.594 1.839 . . . . 0.0 110.962 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.21 -7.14 53.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.08 0.02 18.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.06 -170.21 44.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.136 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.96 128.93 11.91 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.503 1.791 . . . . 0.0 110.959 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.573 ' HB3' ' CD2' ' A' ' 42' ' ' PHE . 3.0 m120 82.93 0.81 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -101.58 155.23 18.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.545 HG13 ' CG ' ' A' ' 39' ' ' GLN . 19.6 m -149.28 140.47 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.46 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 2.1 t80 -89.33 127.62 35.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.444 ' ND2' ' CD ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -128.93 129.03 44.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.374 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 1.005 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -76.86 -5.63 49.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 -179.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.516 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 1.9 t -151.91 73.44 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 108.389 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.48 -155.55 24.42 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.532 1.145 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.22 111.06 22.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 0.728 . . . . 0.0 109.98 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.49 ' CA ' ' HB2' ' A' ' 33' ' ' ARG . . . -56.95 -31.45 65.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.37 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -115.37 38.31 3.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 108.29 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.647 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -51.72 169.92 0.23 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.591 1.182 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.647 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.2 Cg_endo -75.02 168.37 24.98 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 110.977 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 18' ' ' PRO . 19.2 p -157.45 177.66 11.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 110.418 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.406 ' N ' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -58.23 -19.82 36.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.287 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.22 -44.67 8.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -115.42 88.9 20.17 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.322 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 1.43 7.69 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.9 114.97 22.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.601 1.188 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.5 m -42.17 163.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.462 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 27' ' ' ILE . 6.9 tpm_? -168.02 81.1 0.18 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.514 1.134 . . . . 0.0 110.396 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.546 HD13 ' N ' ' A' ' 27' ' ' ILE . 4.1 mm -37.6 154.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.51 -33.8 6.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 108.317 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.4 t -166.28 -163.52 0.61 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.49 1.119 . . . . 0.0 110.35 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.27 42.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.068 . . . . 0.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -143.31 140.59 30.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.516 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 11.1 m -71.49 -179.42 2.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 108.305 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.49 ' HB2' ' CA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -128.42 118.63 23.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.095 . . . . 0.0 110.275 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.005 HG23 ' HA ' ' A' ' 11' ' ' THR . 1.4 mt -90.64 118.17 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.68 174.92 26.1 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.549 1.156 . . . . 0.0 111.05 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 86.2 m -76.6 140.64 41.11 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.444 ' CD ' ' ND2' ' A' ' 10' ' ' ASN . 14.6 pt20 -134.47 -169.65 2.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.0 m -99.33 121.95 41.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 108.284 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.56 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 42.6 mt-30 -50.78 165.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -66.7 101.27 0.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.662 ' O ' HD23 ' A' ' 52' ' ' LEU . . . 125.95 2.07 7.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.74 ' O ' HD23 ' A' ' 43' ' ' LEU . 41.2 m-85 -125.85 154.62 42.42 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.516 0.774 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.74 HD23 ' O ' ' A' ' 42' ' ' PHE . 54.2 mt -129.98 140.53 50.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.563 1.164 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.26 134.44 39.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.294 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.573 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 18.9 p-10 -107.34 146.97 30.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -34.28 -30.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 45' ' ' ASN . 1.6 tt0 -80.63 34.21 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 110.294 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 36.68 36.64 0.17 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.37 1.044 . . . . 0.0 111.005 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.573 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -120.44 130.27 54.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.765 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.5 m -84.74 101.2 12.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 108.253 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.4 m -118.47 145.98 23.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.662 HD23 ' O ' ' A' ' 41' ' ' GLY . 1.0 OUTLIER -52.46 156.82 2.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.522 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.6 Cg_endo -74.96 -29.79 7.92 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.42 1.748 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.01 -6.85 51.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.39 0.12 16.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.45 -0.459 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.443 ' O ' ' CG ' ' A' ' 1' ' ' GLU . 1.8 pt-20 . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -111.02 41.56 1.8 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -62.67 -164.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.568 1.167 . . . . 0.0 108.278 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' N ' ' OE1' ' A' ' 7' ' ' GLU . . . -107.29 -169.84 22.12 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.459 1.1 . . . . 0.0 111.041 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.98 127.88 11.05 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 7.1 m-20 83.32 1.89 1.03 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.612 1.195 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 4' ' ' GLY . 19.1 mt-10 -103.03 156.74 17.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.642 HG13 ' CG ' ' A' ' 39' ' ' GLN . 21.9 m -143.2 150.36 17.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.448 1.092 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.5 t80 -102.42 127.57 49.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.406 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 7.1 m-80 -128.63 133.68 48.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 1.013 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.2 p -83.81 4.22 30.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.513 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.6 OUTLIER -166.61 80.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 108.276 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -124.6 162.48 18.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.107 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.04 107.38 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.43 0.724 . . . . 0.0 109.994 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.441 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -59.85 -34.92 73.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.6 32.67 4.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 108.255 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.403 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -42.0 161.17 0.16 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.464 ' CD ' ' HB ' ' A' ' 25' ' ' THR . 18.2 Cg_endo -75.0 163.06 36.1 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.406 ' CG2' ' C ' ' A' ' 18' ' ' PRO . 44.2 p -150.73 -170.09 3.56 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.424 1.077 . . . . 0.0 110.381 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -22.08 65.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.371 1.044 . . . . 0.0 108.242 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.25 -52.82 5.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -113.84 95.8 38.88 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 1.15 8.06 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.483 1.781 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.54 113.72 16.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.464 ' HB ' ' CD ' ' A' ' 18' ' ' PRO . 15.3 t -97.83 174.35 6.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.184 . . . . 0.0 110.489 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -175.49 46.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.393 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.403 ' O ' ' O ' ' A' ' 26' ' ' ARG . 1.3 mp 58.11 160.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.08 -33.3 6.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 108.305 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.441 ' OG1' ' N ' ' A' ' 30' ' ' MET . 1.3 t -179.4 174.25 1.02 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.448 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.441 ' N ' ' OG1' ' A' ' 29' ' ' THR . 0.8 OUTLIER -68.55 71.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 174.67 112.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.433 1.083 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.513 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 5.4 m -54.45 178.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 108.291 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.441 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -128.86 127.18 41.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.013 HG23 ' HA ' ' A' ' 11' ' ' THR . 2.3 mt -93.4 118.21 38.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.81 179.86 36.74 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.432 ' O ' ' NH2' ' A' ' 33' ' ' ARG . 86.9 m -82.16 149.96 27.67 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.406 ' NE2' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -141.1 177.72 7.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 44' ' ' ARG . 58.0 m -90.54 130.6 36.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 108.284 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.642 ' CG ' HG13 ' A' ' 8' ' ' VAL . 47.8 mt-30 -67.59 169.52 9.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.57 103.9 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.4 3.28 8.01 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.465 1.103 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 6' ' ' ASN . 28.3 m-85 -132.71 151.55 51.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.523 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 73.0 mt -128.3 140.11 52.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.366 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.402 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 4.0 ttm180 -80.5 130.51 35.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.556 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 14.0 p-10 -99.92 149.9 22.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -33.98 -32.12 0.02 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.548 1.155 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 45' ' ' ASN . 2.2 tt0 -83.37 35.89 0.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.559 0.799 . . . . 0.0 110.322 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 36.74 37.04 0.19 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.542 1.151 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.556 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -114.36 123.74 50.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.8 m -80.95 95.18 6.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 108.317 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.1 m -113.64 144.12 21.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.19 156.67 0.96 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.523 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.07 -30.26 7.26 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.456 1.766 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.47 -6.13 48.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.22 0.72 16.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.813 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -115.56 41.94 2.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.559 1.162 . . . . 0.0 110.239 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.9 m -102.46 -166.65 1.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.612 1.195 . . . . 0.0 108.266 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.64 -173.17 41.28 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.507 1.129 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.3 Cg_endo -74.96 127.44 10.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.576 1.829 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.567 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 8.1 m-20 83.34 2.07 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -106.26 164.23 12.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.684 HG13 ' CG ' ' A' ' 39' ' ' GLN . 3.1 m -142.64 179.31 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.44 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.6 t80 -130.5 135.03 47.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.945 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.431 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -131.44 129.3 41.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.61 1.194 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 1.027 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.2 p -82.04 -9.81 59.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.456 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.507 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 2.1 t -149.95 73.45 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 108.236 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.52 -164.05 22.61 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.45 1.094 . . . . 0.0 111.013 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.56 121.31 37.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 0.0 110.025 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.596 ' HB3' ' HB3' ' A' ' 28' ' ' CYS . . . -60.86 -21.93 63.74 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.0 m -119.01 38.1 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 108.273 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.483 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -44.53 164.01 0.18 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.208 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.483 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.5 Cg_endo -75.07 150.9 38.54 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.592 1.838 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.8 p -137.48 -166.99 2.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 110.45 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -28.76 67.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 108.285 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.23 -65.34 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.371 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.481 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 5.6 mt-30 -110.26 98.91 37.87 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.476 ' HB3' HD11 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.07 2.21 6.91 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.99 115.96 20.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.4 m -40.99 161.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.369 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -152.6 39.65 0.56 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.567 1.167 . . . . 0.0 110.361 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.524 HG22 ' N ' ' A' ' 28' ' ' CYS . 4.0 mp 54.32 167.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.24 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.596 ' HB3' ' HB3' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -147.1 -47.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 108.378 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.6 t -174.41 -171.75 0.61 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.453 ' O ' ' CB ' ' A' ' 31' ' ' GLN . 1.8 mtt -88.41 78.82 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.453 ' CB ' ' O ' ' A' ' 30' ' ' MET . 0.9 OUTLIER 164.35 161.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.404 1.065 . . . . 0.0 110.347 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.507 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 4.0 m -86.9 -178.67 6.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 108.26 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.489 ' C ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -133.89 119.89 19.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.339 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.027 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.6 OUTLIER -91.23 117.38 34.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.61 176.13 38.05 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.447 1.092 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 98.1 m -83.86 148.59 26.89 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.431 ' NE2' ' HB2' ' A' ' 10' ' ' ASN . 0.8 OUTLIER -135.54 -177.09 4.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 65.8 m -93.54 131.09 39.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 108.306 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.684 ' CG ' HG13 ' A' ' 8' ' ' VAL . 61.3 mt-30 -66.33 168.42 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -62.5 103.72 0.44 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.4 ' O ' HD23 ' A' ' 52' ' ' LEU . . . 124.16 3.03 8.28 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.529 1.143 . . . . 0.0 111.05 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 28.0 m-85 -133.14 154.47 50.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 0.731 . . . . 0.0 111.055 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.485 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 55.9 mt -129.46 149.95 51.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.455 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -84.66 133.99 34.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.563 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 27.4 p-10 -108.69 146.29 33.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.248 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.461 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.92 -29.02 0.02 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.583 1.177 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.4 OUTLIER -78.96 32.22 0.21 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 0.79 . . . . 0.0 110.233 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.461 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.96 34.15 0.27 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.563 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.61 163.4 15.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.4 m -111.53 100.89 9.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.102 . . . . 0.0 108.324 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.9 m -115.86 141.9 31.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.402 1.064 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 41' ' ' GLY . 0.7 OUTLIER -51.28 156.96 1.75 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.485 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 17.9 Cg_endo -75.04 -29.89 7.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.391 1.732 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -75.21 -6.42 49.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.344 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.23 0.74 16.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.881 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.496 ' O ' ' CG ' ' A' ' 2' ' ' GLU . 0.3 OUTLIER -177.55 60.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.696 1.247 . . . . 0.0 110.227 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.6 m -116.98 -164.37 0.98 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 108.316 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.401 ' N ' ' OE1' ' A' ' 7' ' ' GLU . . . -100.18 -172.27 29.88 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.522 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.4 Cg_endo -74.98 126.5 10.02 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.574 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 6.1 m-20 83.57 1.8 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.211 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' OE1' ' N ' ' A' ' 4' ' ' GLY . 24.0 mt-10 -101.61 158.03 16.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 0.0 110.371 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.669 HG13 ' CG ' ' A' ' 39' ' ' GLN . 8.4 m -145.37 152.38 14.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.492 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 0.8 OUTLIER -106.12 129.6 54.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 111.042 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.429 ' OD1' ' CD ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -132.53 131.86 42.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.591 1.182 . . . . 0.0 109.256 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.991 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.2 p -77.98 -4.77 48.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.495 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.51 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 1.0 OUTLIER -153.55 76.91 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 108.333 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.24 176.46 21.82 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.477 1.111 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.91 108.24 5.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 109.999 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.76 -30.49 61.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.608 1.193 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.71 35.78 3.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.237 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.501 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -49.47 164.9 0.3 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 0.0 109.353 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.501 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.5 Cg_endo -74.92 163.16 36.03 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.547 1.814 . . . . 0.0 111.078 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.435 HG23 ' C ' ' A' ' 18' ' ' PRO . 76.2 p -151.88 176.88 11.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.369 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -21.11 12.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 108.352 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.9 -53.42 4.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -113.92 96.39 41.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.74 8.55 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.496 1.787 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -126.45 116.12 20.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.455 ' HB ' ' CD ' ' A' ' 18' ' ' PRO . 7.5 t -99.54 174.92 6.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.435 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.551 ' C ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -175.36 48.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.381 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.551 HD12 ' C ' ' A' ' 26' ' ' ARG . 3.2 mp 57.46 161.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.94 -35.1 6.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 108.345 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.6 t -174.74 -163.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.388 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 ttt -82.91 76.89 9.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 169.21 160.15 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.072 . . . . 0.0 110.354 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.51 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 6.0 m -98.8 -177.28 3.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.488 1.118 . . . . 0.0 108.238 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.474 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -134.18 118.43 17.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.322 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.991 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -85.98 118.45 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.4 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.79 178.95 36.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.492 ' SG ' ' CD2' ' A' ' 9' ' ' PHE . 95.4 m -87.68 138.9 31.06 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.429 ' CD ' ' OD1' ' A' ' 10' ' ' ASN . 12.6 pt20 -127.24 -176.87 3.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 44' ' ' ARG . 59.1 m -93.4 121.18 34.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.426 1.079 . . . . 0.0 108.296 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.669 ' CG ' HG13 ' A' ' 8' ' ' VAL . 39.7 mt-30 -54.18 168.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.317 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -64.84 104.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.416 ' O ' HD23 ' A' ' 52' ' ' LEU . . . 125.06 2.37 7.79 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.432 1.082 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.633 ' O ' HD23 ' A' ' 43' ' ' LEU . 22.9 m-85 -133.15 151.53 51.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 0.75 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.633 HD23 ' O ' ' A' ' 42' ' ' PHE . 30.9 mt -129.57 142.95 50.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.457 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 0.8 OUTLIER -81.07 130.44 35.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' GLY . 15.8 p-10 -96.36 151.69 19.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -33.68 -32.61 0.02 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.473 1.108 . . . . 0.0 111.081 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 45' ' ' ASN . 1.4 tt0 -84.57 36.12 0.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 0.723 . . . . 0.0 110.371 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 36.87 38.1 0.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.436 1.085 . . . . 0.0 111.034 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.472 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -113.4 121.55 44.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.2 m -78.69 95.23 5.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.603 1.189 . . . . 0.0 108.365 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.5 m -115.43 145.86 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.438 ' HG ' ' CD2' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -53.97 156.98 4.62 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.52 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.7 Cg_endo -75.03 -29.83 7.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.78 . . . . 0.0 110.982 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -75.05 -6.14 47.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 110.297 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.23 0.18 15.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.449 -0.522 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 . . . . . 0 N--CA 1.45 -0.463 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 3' ' ' CYS . 0.8 OUTLIER 172.06 84.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.143 . . . . 0.0 110.353 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 2' ' ' GLU . 3.5 m -40.29 157.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.372 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.63 -168.47 20.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.106 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.528 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.97 130.42 13.29 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.509 1.794 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.573 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.3 m-20 83.73 0.88 1.02 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -105.85 165.42 11.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.435 1.084 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.68 HG13 ' CG ' ' A' ' 39' ' ' GLN . 1.4 m -142.41 175.22 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.429 ' CD1' ' SG ' ' A' ' 36' ' ' CYS . 1.6 t80 -122.67 131.93 54.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.499 ' ND2' ' NE2' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -127.41 123.75 36.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.959 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.1 p -79.05 -20.33 49.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.495 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -144.4 79.85 1.62 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 108.291 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -106.92 175.68 20.83 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.517 1.136 . . . . 0.0 110.949 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.9 123.45 18.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.43 0.724 . . . . 0.0 110.017 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.23 -24.19 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.634 1.209 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' O ' ' O ' ' A' ' 17' ' ' ALA . 2.1 m -136.89 53.96 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 108.235 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.583 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -44.47 167.69 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.583 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.4 Cg_endo -74.95 156.79 43.22 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 18' ' ' PRO . 21.1 p -157.44 -171.15 3.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -28.33 69.93 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.437 1.085 . . . . 0.0 108.27 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.75 -41.16 19.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -124.67 90.29 51.14 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.368 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 1.29 7.89 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.507 1.793 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.93 113.5 16.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.9 m -38.72 142.35 0.21 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.55 1.156 . . . . 0.0 110.377 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -155.38 94.7 1.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.291 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.453 ' H ' HD12 ' A' ' 27' ' ' ILE . 2.6 mp -45.08 160.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -123.78 -43.91 2.11 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 124.427 1.079 . . . . 0.0 108.322 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.3 t -155.66 178.67 9.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.57 80.7 9.15 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.548 1.155 . . . . 0.0 111.025 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 176.07 149.86 0.12 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.614 1.196 . . . . 0.0 110.387 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.495 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.2 m -93.46 169.7 10.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 108.34 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.56 HH21 ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -131.63 128.8 39.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 110.338 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.959 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.9 OUTLIER -89.78 121.73 40.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.606 1.191 . . . . 0.0 109.238 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.21 167.43 30.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.454 1.097 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 93.9 m -78.17 146.97 34.73 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.499 ' NE2' ' ND2' ' A' ' 10' ' ' ASN . 7.2 pt20 -134.19 -176.31 4.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.408 ' SG ' ' C ' ' A' ' 43' ' ' LEU . 55.1 m -95.02 128.35 41.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.302 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.68 ' CG ' HG13 ' A' ' 8' ' ' VAL . 30.9 mt-30 -63.67 174.77 1.26 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 110.35 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -66.42 104.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 110.262 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.765 ' O ' HD23 ' A' ' 52' ' ' LEU . . . 124.34 -2.5 8.92 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.527 1.142 . . . . 0.0 111.079 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 8.8 m-85 -129.96 152.61 49.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 0.731 . . . . 0.0 111.102 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 42' ' ' PHE . 17.0 mt -130.57 147.11 52.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.61 1.194 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 4.4 ttp180 -81.73 133.83 35.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.24 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.555 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 27.6 p-10 -109.55 146.47 34.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.352 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.467 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.57 -29.04 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ASN . 2.0 tt0 -79.01 32.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.6 33.74 0.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.594 1.184 . . . . 0.0 111.054 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.555 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.63 160.56 19.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 0.802 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.5 m -108.53 98.31 7.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 108.316 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.8 m -115.1 143.45 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.765 HD23 ' O ' ' A' ' 41' ' ' GLY . 1.0 OUTLIER -50.07 156.55 1.32 Allowed Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.473 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 17.8 Cg_endo -75.15 -29.69 7.74 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -75.29 -7.13 53.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.087 . . . . 0.0 110.181 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -110.55 -0.22 17.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 2' ' ' GLU . 10.1 mm-40 . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 1' ' ' GLU . 1.7 pt-20 36.22 39.52 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.6 m -73.77 171.39 13.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.272 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.13 176.26 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.6 Cg_endo -74.86 126.17 9.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.77 . . . . 0.0 111.09 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.574 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 6.4 m-20 82.04 4.54 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.077 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -103.13 159.74 15.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.714 HG13 ' CG ' ' A' ' 39' ' ' GLN . 16.1 m -144.64 150.23 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.602 1.189 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -99.74 126.25 45.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 111.085 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.699 HD22 ' NE2' ' A' ' 37' ' ' GLN . 2.9 m-80 -124.75 131.72 53.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.962 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -83.51 6.04 21.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.585 1.178 . . . . 0.0 110.362 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.5 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -170.7 77.87 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 108.342 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.26 176.09 16.19 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.556 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 10.8 p -64.46 108.0 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 0.79 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.08 -32.19 54.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 m -114.4 41.92 2.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 108.322 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.715 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -47.19 172.53 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.715 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.4 Cg_endo -74.99 149.68 37.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.3 p -137.01 169.86 17.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -23.93 21.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 108.265 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.25 -42.94 11.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.575 1.172 . . . . 0.0 109.227 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -119.31 80.27 20.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.407 1.067 . . . . 0.0 110.31 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.47 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.92 62.82 5.86 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.75 140.76 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.599 1.187 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 m -66.68 152.12 46.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.411 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.07 87.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mp -40.77 160.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -126.64 -44.81 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 108.305 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.0 p -132.66 -176.69 4.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 110.379 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -94.71 37.55 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.68 171.49 14.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.5 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 5.1 m -98.28 -179.68 4.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 108.317 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.38 119.74 22.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.962 HG23 ' HA ' ' A' ' 11' ' ' THR . 4.1 mt -88.69 120.19 37.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.03 176.75 31.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.592 1.182 . . . . 0.0 110.972 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.9 m -78.53 147.43 33.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.699 ' NE2' HD22 ' A' ' 10' ' ' ASN . 3.7 pt20 -139.33 -179.2 5.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 44' ' ' ARG . 33.8 m -90.67 126.07 35.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 108.282 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.714 ' CG ' HG13 ' A' ' 8' ' ' VAL . 39.5 mt-30 -61.29 168.85 2.43 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.544 1.153 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -64.28 102.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.05 -0.39 6.6 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.43 1.081 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.892 ' O ' HD23 ' A' ' 43' ' ' LEU . 28.2 m-85 -129.95 154.33 47.47 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.477 0.751 . . . . 0.0 110.951 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.892 HD23 ' O ' ' A' ' 42' ' ' PHE . 25.8 mt -132.1 140.23 48.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.441 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 3.3 ttt180 -79.23 130.29 35.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.543 ' O ' ' N ' ' A' ' 48' ' ' GLY . 24.1 p-10 -95.06 152.31 18.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -34.32 -32.06 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.617 1.198 . . . . 0.0 110.96 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -84.82 35.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 0.789 . . . . 0.0 110.288 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 37.88 38.33 0.5 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 0.0 110.951 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.49 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -113.32 120.21 40.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 0.74 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.7 m -77.8 96.12 4.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.108 . . . . 0.0 108.311 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.6 m -118.5 146.87 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.466 ' HG ' ' CD2' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -54.57 156.74 5.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.476 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.2 Cg_endo -74.99 -29.67 7.98 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -75.43 -5.97 47.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -111.85 0.26 16.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.573 1.171 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 N--CA 1.45 -0.472 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.29 42.09 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.1 m -78.18 170.59 16.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 108.291 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.93 176.09 0.12 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.57 1.169 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.517 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.4 Cg_endo -74.96 125.84 9.61 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.47 1.774 . . . . 0.0 110.998 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 6.0 m-20 82.8 4.75 0.98 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -104.63 158.04 16.77 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.577 1.173 . . . . 0.0 110.308 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.755 HG13 ' CG ' ' A' ' 39' ' ' GLN . 18.4 m -142.61 154.19 17.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.076 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 2.1 t80 -102.63 127.98 49.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.677 HD22 ' NE2' ' A' ' 37' ' ' GLN . 3.0 m-80 -128.19 138.46 52.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.197 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.834 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -89.25 12.84 14.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 0.0 110.393 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.501 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -178.09 78.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.603 1.19 . . . . 0.0 108.287 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.429 ' O ' ' CG ' ' A' ' 33' ' ' ARG . . . -109.81 165.64 12.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.56 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -45.91 103.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.77 . . . . 0.0 110.017 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.92 -36.93 3.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m -122.1 51.25 1.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 108.253 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.614 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -53.09 168.52 0.34 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.614 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.3 Cg_endo -74.95 157.86 42.73 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.464 1.77 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.0 p -142.16 -176.39 4.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.382 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.6 -28.97 69.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 108.247 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.17 -45.84 14.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.382 1.052 . . . . 0.0 109.344 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -116.86 80.62 11.21 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.469 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.01 62.67 5.91 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.797 . . . . 0.0 111.065 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.3 pttt -179.02 122.36 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.402 1.063 . . . . 0.0 109.353 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 m -42.34 159.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.377 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.26 85.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -44.84 160.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -125.91 -45.58 1.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 108.326 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 30' ' ' MET . 8.8 t -153.33 -171.39 3.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.436 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.408 ' N ' ' OG1' ' A' ' 29' ' ' THR . 3.0 ttm -90.87 51.57 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -145.57 165.94 27.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.501 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 6.2 m -112.84 178.12 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 108.314 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.443 ' NH1' ' O ' ' A' ' 14' ' ' SER . 0.6 OUTLIER -123.79 126.69 46.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.834 HG23 ' HA ' ' A' ' 11' ' ' THR . 1.0 OUTLIER -96.35 116.26 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.88 -177.1 33.15 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.436 1.085 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 66.6 m -78.51 152.53 31.95 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.677 ' NE2' HD22 ' A' ' 10' ' ' ASN . 4.1 pt20 -144.14 -178.16 5.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 61.7 m -91.63 125.81 36.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 108.288 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.755 ' CG ' HG13 ' A' ' 8' ' ' VAL . 41.8 mt-30 -61.85 168.81 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -64.51 102.72 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 110.321 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.06 0.58 6.97 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.45 1.094 . . . . 0.0 111.032 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.754 ' O ' HD23 ' A' ' 43' ' ' LEU . 28.7 m-85 -129.8 153.09 48.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 111.017 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.754 HD23 ' O ' ' A' ' 42' ' ' PHE . 54.3 mt -130.49 138.11 50.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -78.22 130.49 36.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.387 1.054 . . . . 0.0 110.377 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' GLY . 18.8 p-10 -97.53 150.9 20.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -34.14 -31.94 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.555 1.16 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -83.54 34.97 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.594 0.82 . . . . 0.0 110.312 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 37.5 38.09 0.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.602 1.189 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.523 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -114.83 122.42 46.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.535 0.785 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 19.5 m -79.01 96.04 5.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 108.258 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.3 m -116.79 145.43 22.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.698 ' H ' HD12 ' A' ' 52' ' ' LEU . 3.9 mp -52.13 157.23 2.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.523 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.07 -29.34 8.22 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.573 1.828 . . . . 0.0 110.983 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -75.02 -7.48 53.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.345 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -111.14 0.9 17.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.105 . . . . 0.0 109.237 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 . . . . . 0 N--CA 1.449 -0.514 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 3' ' ' CYS . 13.7 tt0 74.34 82.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.423 ' SG ' ' C ' ' A' ' 8' ' ' VAL . 2.6 m -41.41 160.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 108.294 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.35 -161.23 34.15 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.525 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.4 Cg_endo -75.02 128.74 11.71 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.559 1.82 . . . . 0.0 110.999 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 6.3 m-20 84.8 -0.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -107.81 156.26 19.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.361 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.715 HG13 ' CG ' ' A' ' 39' ' ' GLN . 18.0 m -140.12 160.63 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.417 ' HB2' ' SG ' ' A' ' 3' ' ' CYS . 2.3 t80 -108.8 129.96 55.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.616 1.197 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.465 ' ND2' ' NE2' ' A' ' 37' ' ' GLN . 1.3 m-80 -127.72 127.4 43.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.975 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.1 p -79.33 -13.12 59.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.565 1.166 . . . . 0.0 110.422 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.501 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -150.93 80.51 1.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 108.321 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.8 -179.19 19.57 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.479 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 1.7 p -70.73 111.07 5.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.421 0.718 . . . . 0.0 110.013 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.541 ' HB3' ' HB2' ' A' ' 28' ' ' CYS . . . -58.64 -17.94 26.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -123.99 31.96 5.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 108.322 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -43.93 164.95 0.14 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.505 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.1 Cg_endo -75.0 160.0 40.68 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.444 1.76 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.447 HG23 ' C ' ' A' ' 18' ' ' PRO . 68.7 p -152.23 -173.5 4.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.348 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -20.74 66.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.582 1.177 . . . . 0.0 108.34 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.2 -47.02 8.06 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -119.07 96.27 49.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.93 8.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.439 1.758 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.95 115.34 17.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.47 ' HB ' ' CD ' ' A' ' 18' ' ' PRO . 9.3 t -96.25 173.85 7.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 110.404 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.493 ' C ' HD12 ' A' ' 27' ' ' ILE . 4.9 tmm_? -175.58 48.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.493 HD12 ' C ' ' A' ' 26' ' ' ARG . 2.1 mp 58.03 160.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.541 ' HB2' ' HB3' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -111.42 -34.16 6.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 108.328 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.7 t -172.43 -172.41 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.471 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.76 61.92 1.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 111.068 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -174.96 169.71 3.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.501 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 4.3 m -107.56 176.06 5.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.595 1.185 . . . . 0.0 108.256 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.425 ' NH1' ' HB2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -127.88 128.49 45.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.975 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -95.73 117.24 39.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.364 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.25 175.78 36.21 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 87.9 m -80.52 151.2 29.31 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.465 ' NE2' ' ND2' ' A' ' 10' ' ' ASN . 3.1 pt20 -141.37 179.45 6.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.361 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 89.6 m -90.55 133.47 35.06 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.543 1.152 . . . . 0.0 108.321 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.715 ' CG ' HG13 ' A' ' 8' ' ' VAL . 36.7 mt-30 -73.17 176.1 6.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -66.33 103.48 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.184 . . . . 0.0 110.222 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.89 -0.44 8.41 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 6' ' ' ASN . 14.4 m-85 -131.94 151.84 51.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 0.794 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.482 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 23.6 mt -128.56 150.19 50.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 1.3 tpt180 -84.62 136.29 33.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.544 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 27.1 p-10 -112.62 146.18 39.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.461 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.68 -29.2 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.453 1.096 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.3 OUTLIER -78.69 33.17 0.2 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 0.792 . . . . 0.0 110.321 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.461 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 37.92 33.43 0.15 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.544 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -114.61 165.36 12.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 0.768 . . . . 0.0 109.356 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.4 m -114.27 99.33 7.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 108.294 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.3 m -114.43 143.02 25.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.65 ' H ' HD12 ' A' ' 52' ' ' LEU . 4.1 mp -50.53 156.9 1.38 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.482 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.5 Cg_endo -75.02 -29.16 8.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.466 1.772 . . . . 0.0 110.947 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.22 -8.06 55.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -109.95 -0.03 18.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 109.342 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.496 ' CB ' ' CB ' ' A' ' 9' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.516 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 51.88 42.33 30.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 0.0 110.295 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.2 m -118.73 171.04 8.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 108.339 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.43 178.51 1.52 Allowed Glycine 0 CA--C 1.532 1.107 0 O-C-N 124.51 1.131 . . . . 0.0 110.939 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.99 127.3 10.58 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.539 1.81 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 7.2 m-20 83.25 3.29 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.599 1.187 . . . . 0.0 109.284 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -107.4 158.22 17.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 110.352 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.744 HG13 ' CG ' ' A' ' 39' ' ' GLN . 24.5 m -140.74 160.93 24.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.496 ' CB ' ' CB ' ' A' ' 1' ' ' GLU . 2.1 t80 -107.4 127.7 53.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.53 1.144 . . . . 0.0 111.062 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.488 ' ND2' ' NE2' ' A' ' 37' ' ' GLN . 2.4 m-80 -127.61 130.45 49.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.991 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -78.5 -12.67 60.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.394 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.504 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -150.65 79.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 108.249 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.52 176.84 20.4 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.524 1.14 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.417 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 1.7 p -69.69 108.35 3.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.389 0.699 . . . . 0.0 110.001 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.16 -34.07 21.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -115.2 44.08 1.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 108.265 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.715 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -49.73 171.96 0.11 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.715 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.1 Cg_endo -75.01 161.82 38.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.552 1.817 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.508 HG23 ' C ' ' A' ' 18' ' ' PRO . 32.2 p -156.93 179.56 9.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -26.65 50.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 108.332 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.32 -48.88 9.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -115.28 91.57 28.63 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.174 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 1.2 7.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.57 1.826 . . . . 0.0 111.029 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.77 -172.17 2.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.9 m -102.64 140.51 36.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.78 86.45 1.12 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -43.68 159.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.202 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.83 -42.99 2.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.281 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.3 t -168.56 177.86 5.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.36 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.5 mtt -85.63 67.02 9.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.94 125.99 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.504 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.8 m -73.03 175.61 6.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 108.283 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.496 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -130.19 122.18 27.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.354 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.991 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -88.93 117.21 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.87 178.23 35.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.475 1.11 . . . . 0.0 110.974 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 64.4 m -79.15 149.46 31.99 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.488 ' NE2' ' ND2' ' A' ' 10' ' ' ASN . 4.4 pt20 -141.23 -178.74 5.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.5 m -89.89 131.3 35.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 108.253 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.744 ' CG ' HG13 ' A' ' 8' ' ' VAL . 30.5 mt-30 -68.01 168.72 11.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.265 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -63.86 103.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.083 . . . . 0.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.69 0.36 7.22 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.377 1.048 . . . . 0.0 111.027 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.744 ' O ' HD23 ' A' ' 43' ' ' LEU . 33.9 m-85 -129.18 153.28 47.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.744 HD23 ' O ' ' A' ' 42' ' ' PHE . 55.2 mt -130.47 137.81 49.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.388 1.055 . . . . 0.0 109.363 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -78.99 129.21 34.21 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.557 1.161 . . . . 0.0 110.225 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.543 ' O ' ' N ' ' A' ' 48' ' ' GLY . 23.3 p-10 -94.74 151.86 18.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -34.02 -32.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.409 1.068 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 45' ' ' ASN . 5.1 tt0 -84.43 35.8 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 0.745 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 37.23 37.88 0.33 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.481 1.113 . . . . 0.0 111.057 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.505 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -112.48 120.61 42.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.2 m -78.03 95.72 4.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 108.377 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.4 m -117.77 145.49 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.356 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.23 156.92 2.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.512 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.96 -30.21 7.47 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.479 1.778 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -75.01 -6.65 50.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.378 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.22 0.41 16.76 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.45 -0.463 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.863 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.459 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -103.92 39.17 1.67 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.7 m -109.15 170.81 7.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 108.332 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.53 177.11 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.96 126.39 9.96 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.549 1.815 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 5.9 m-20 83.26 3.43 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.4 ' HG2' ' SG ' ' A' ' 50' ' ' CYS . 27.9 mt-10 -103.9 156.52 17.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 m -140.06 152.58 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.4 t80 -103.04 127.04 50.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.419 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 3.7 m-80 -125.24 129.97 51.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 1.029 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -79.28 -6.5 56.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.445 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.515 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 1.7 t -148.93 75.4 1.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.145 . . . . 0.0 108.278 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.64 -152.92 25.47 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.528 1.142 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.01 121.54 45.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.929 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.72 -26.58 67.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 17' ' ' ALA . 17.1 m -123.06 35.58 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.376 1.047 . . . . 0.0 108.302 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.588 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -44.97 168.18 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.359 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.588 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.0 Cg_endo -75.04 157.22 42.74 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.46 1.768 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 18' ' ' PRO . 19.4 p -157.8 -172.92 4.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.427 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -19.68 49.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 108.254 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.98 -49.56 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.443 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 2.8 mp0 -118.89 91.67 43.36 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 110.264 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 2.09 7.02 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 25' ' ' THR . 6.2 pttm -127.35 117.4 22.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.075 . . . . 0.0 109.233 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 24' ' ' LYS . 22.8 m -38.9 158.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.365 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -169.61 88.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 110.334 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 26' ' ' ARG . 2.5 mp -41.17 161.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.402 ' N ' HG22 ' A' ' 27' ' ' ILE . 1.1 m -129.52 -46.65 1.18 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.437 1.086 . . . . 0.0 108.318 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.7 t -151.32 -174.67 4.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.481 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.68 87.48 5.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 170.22 137.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.515 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 9.0 m -73.28 176.88 5.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.637 1.21 . . . . 0.0 108.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.505 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -126.35 116.1 20.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.601 1.188 . . . . 0.0 110.324 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.029 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -87.81 119.03 34.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.52 176.74 32.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 59.8 m -78.19 152.39 32.69 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.419 ' NE2' ' HB2' ' A' ' 10' ' ' ASN . 1.1 pt20 -142.04 -179.29 6.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 95.1 m -93.58 132.21 38.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 108.285 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -69.53 171.96 8.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.252 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -64.57 103.52 0.68 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 110.262 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.97 -3.47 7.93 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 6' ' ' ASN . 17.9 m-85 -127.46 153.03 46.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 0.744 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.483 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 16.7 mt -128.83 150.12 50.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.442 1.089 . . . . 0.0 109.344 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.44 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 4.3 ttp85 -85.26 134.21 34.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 110.392 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.542 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 26.0 p-10 -110.75 146.17 36.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.56 -29.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.5 OUTLIER -78.94 33.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 110.308 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.09 33.13 0.15 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.542 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -113.97 163.01 15.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.418 0.716 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.4 ' SG ' ' HG2' ' A' ' 7' ' ' GLU . 1.4 m -111.85 98.52 7.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.184 . . . . 0.0 108.328 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.9 m -114.59 142.65 26.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.85 156.77 1.54 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.483 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.1 Cg_endo -74.99 -29.9 7.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -75.63 -6.43 50.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 110.335 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.17 -0.67 17.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.376 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.2 t . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 N--CA 1.45 -0.472 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.441 ' O ' ' O ' ' A' ' 3' ' ' CYS . 2.0 tt0 72.56 78.21 0.15 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.41 1.068 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.441 ' O ' ' O ' ' A' ' 2' ' ' GLU . 35.1 m 40.52 -160.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 108.334 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.85 -173.23 44.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.073 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 17.8 Cg_endo -75.0 126.41 9.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 111.019 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.568 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.3 m-20 81.92 3.33 1.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -109.57 160.82 15.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.339 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.639 HG13 ' CG ' ' A' ' 39' ' ' GLN . 4.6 m -141.79 177.74 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.5 t80 -125.31 132.21 52.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.031 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -132.41 133.93 44.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.975 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.1 p -81.1 -34.05 32.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.425 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.519 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 1.0 OUTLIER -131.5 77.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 108.259 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.84 169.61 13.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.44 1.088 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.496 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 1.8 p -48.89 103.76 0.05 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.577 0.81 . . . . 0.0 110.032 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.433 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -41.05 -30.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.434 ' N ' ' C ' ' A' ' 14' ' ' SER . 3.6 m -131.81 59.71 1.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.584 1.177 . . . . 0.0 108.279 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.619 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -53.57 168.81 0.36 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.619 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.5 Cg_endo -75.01 157.66 42.62 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.8 p -144.81 -173.34 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.435 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.13 -20.38 65.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 108.235 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.51 -46.29 7.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.434 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 8.9 mm-40 -118.41 87.86 31.88 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 110.259 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 1.46 7.71 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.539 1.81 . . . . 0.0 111.063 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' THR . 3.5 mttm -120.43 114.93 22.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' LYS . 16.6 m -38.38 156.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -166.38 90.38 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.583 1.177 . . . . 0.0 110.284 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.408 ' H ' HD12 ' A' ' 27' ' ' ILE . 2.6 mp -40.6 159.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.401 1.063 . . . . 0.0 109.332 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.1 m -124.57 -44.94 1.95 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.446 1.091 . . . . 0.0 108.306 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.6 t -154.31 -177.17 6.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.082 . . . . 0.0 110.405 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.3 ttm -86.63 60.59 6.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.592 1.183 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -160.75 164.51 31.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.519 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.9 m -101.17 179.81 4.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 108.33 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.433 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -129.63 135.28 48.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.373 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.975 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.4 OUTLIER -105.74 121.07 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.19 177.92 31.73 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 95.1 m -80.73 146.17 31.17 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -134.5 -178.57 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 44' ' ' ARG . 66.8 m -91.13 125.16 35.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 108.343 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.639 ' CG ' HG13 ' A' ' 8' ' ' VAL . 41.9 mt-30 -56.87 166.93 0.87 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.593 1.183 . . . . 0.0 110.251 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -63.97 103.11 0.55 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.86 2.01 7.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.718 ' O ' HD23 ' A' ' 43' ' ' LEU . 37.9 m-85 -130.95 153.81 48.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 0.784 . . . . 0.0 111.056 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 42' ' ' PHE . 66.8 mt -131.51 139.41 49.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.386 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.451 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 3.3 ttm180 -78.7 131.66 36.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 18.2 p-10 -99.4 150.51 22.09 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.602 1.189 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -33.86 -32.06 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.588 1.18 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' ' 45' ' ' ASN . 1.0 OUTLIER -83.44 35.63 0.51 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.451 0.736 . . . . 0.0 110.353 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 36.81 37.43 0.23 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.515 1.134 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.54 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -114.83 123.44 49.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.1 m -79.8 97.3 6.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 108.266 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 m -117.58 145.3 23.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.241 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.06 156.77 1.64 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.52 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.04 -30.4 7.14 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.517 1.799 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -75.11 -6.42 49.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.385 1.053 . . . . 0.0 110.362 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -111.54 1.13 16.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.914 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 3' ' ' CYS . 2.2 tt0 172.94 83.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.412 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 2' ' ' GLU . 2.9 m -39.65 155.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 108.3 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.52 -164.37 38.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.6 Cg_endo -74.92 131.18 14.09 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.771 . . . . 0.0 111.047 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.549 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.0 m-20 83.54 1.18 1.04 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -109.01 160.22 16.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.157 . . . . 0.0 110.243 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.658 HG13 ' CG ' ' A' ' 39' ' ' GLN . 15.7 m -138.41 178.61 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -124.61 130.99 53.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.413 ' O ' ' HA ' ' A' ' 34' ' ' ILE . 1.1 m-80 -125.3 120.73 32.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.995 ' HA ' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -82.72 -9.21 59.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 110.431 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.515 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 1.4 t -159.65 74.74 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 108.297 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 14' ' ' SER . . . -116.85 171.92 14.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.541 1.15 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.446 ' C ' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -38.75 106.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 0.78 . . . . 0.0 110.011 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.468 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -40.94 -29.7 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.446 ' N ' ' C ' ' A' ' 14' ' ' SER . 1.6 m -135.18 58.47 1.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.092 . . . . 0.0 108.239 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.597 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -48.93 167.55 0.21 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.597 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.2 Cg_endo -75.11 162.78 36.3 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.504 HG23 ' C ' ' A' ' 18' ' ' PRO . 23.9 p -157.09 -172.77 4.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.367 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.3 -21.8 60.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.322 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.01 -51.74 5.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -115.06 93.25 34.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.331 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.96 8.28 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.54 1.811 . . . . 0.0 110.99 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 25' ' ' THR . 3.7 pttt -126.72 113.4 16.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 24' ' ' LYS . 4.1 m -38.34 150.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 110.431 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -160.2 95.23 1.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.076 . . . . 0.0 110.322 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.403 ' H ' HD12 ' A' ' 27' ' ' ILE . 2.6 mp -40.52 159.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.225 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.06 -43.32 2.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 108.213 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.5 t -161.95 -174.78 4.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.459 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.38 82.39 8.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.959 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 172.23 161.38 0.11 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 110.244 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.515 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.4 m -94.99 176.33 6.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 108.307 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.468 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -129.58 132.77 46.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.995 HG23 ' HA ' ' A' ' 11' ' ' THR . 1.3 mt -100.2 120.45 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.18 166.08 24.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.438 1.086 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 73.3 m -74.76 138.89 42.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.644 ' HG3' HG23 ' A' ' 8' ' ' VAL . 11.9 pt20 -121.15 -179.39 4.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.413 ' SG ' ' C ' ' A' ' 43' ' ' LEU . 63.3 m -97.34 128.4 44.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 108.214 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.658 ' CG ' HG13 ' A' ' 8' ' ' VAL . 3.8 mm-40 -60.91 173.42 0.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.91 102.28 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.385 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.787 ' O ' HD23 ' A' ' 52' ' ' LEU . . . 125.56 -1.19 8.08 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 16.0 m-85 -129.24 153.0 48.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 14.3 mt -129.62 150.21 51.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.432 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -85.56 132.79 34.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.565 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 29.0 p-10 -109.1 146.55 33.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 109.209 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.466 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -36.47 -28.33 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.559 1.162 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 45' ' ' ASN . 1.3 tt0 -79.03 31.82 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 0.803 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 39.0 34.29 0.29 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.565 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -116.03 160.59 20.08 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.4 m -110.06 97.51 6.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.41 1.069 . . . . 0.0 108.258 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.5 m -115.22 144.02 23.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.787 HD23 ' O ' ' A' ' 41' ' ' GLY . 1.1 mt -49.51 156.5 1.12 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.472 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.0 Cg_endo -75.01 -29.91 7.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -75.28 -7.02 52.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.46 -0.67 17.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 3' ' ' CYS . 24.2 tt0 44.88 44.42 7.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 2' ' ' GLU . 31.8 m 39.63 -159.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 108.279 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.46 -173.35 35.32 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.485 1.116 . . . . 0.0 111.07 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.518 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.3 Cg_endo -74.97 126.42 9.97 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.447 1.762 . . . . 0.0 110.968 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.562 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.3 m-20 83.11 2.98 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' A' ' 5' ' ' PRO . 1.0 OUTLIER -107.48 163.81 12.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.667 HG13 ' CG ' ' A' ' 39' ' ' GLN . 3.6 m -142.85 177.14 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.496 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.5 t80 -129.14 136.32 50.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.593 1.183 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.436 ' OD1' ' NE2' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -135.99 131.82 35.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 1.005 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.2 p -82.28 -13.64 56.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.595 1.184 . . . . 0.0 110.355 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.498 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -148.14 79.8 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 108.286 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.59 169.31 12.82 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -50.34 107.74 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 0.754 . . . . 0.0 110.037 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.426 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -41.41 -31.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' N ' ' C ' ' A' ' 14' ' ' SER . 1.7 m -133.14 57.87 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 108.259 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.624 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -51.37 168.72 0.25 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.384 1.052 . . . . 0.0 109.204 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.624 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.6 Cg_endo -74.94 159.19 41.88 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.427 1.751 . . . . 0.0 111.098 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.423 HG23 ' C ' ' A' ' 18' ' ' PRO . 40.6 p -151.66 -166.12 2.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 110.357 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -20.44 66.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.432 1.082 . . . . 0.0 108.288 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.41 -51.12 5.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.438 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 17.4 mt-30 -116.17 93.61 39.5 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.358 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.86 1.53 7.56 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.475 1.777 . . . . 0.0 111.03 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' THR . 5.4 mtmm -125.75 116.96 22.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 24' ' ' LYS . 2.5 m -36.73 153.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -161.7 92.01 0.85 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 110.371 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' ARG . 2.1 mp -41.31 161.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -128.51 -45.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 108.284 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.8 t -159.46 163.22 35.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.371 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.478 ' O ' ' CB ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -69.39 90.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 111.081 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 30' ' ' MET . 0.6 OUTLIER 161.85 133.75 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.445 1.091 . . . . 0.0 110.41 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.498 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 4.1 m -68.74 179.07 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 108.379 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.426 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -132.03 132.25 43.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.18 . . . . 0.0 110.262 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.005 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -97.61 118.25 43.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.79 175.78 38.49 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.63 1.206 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.496 ' SG ' ' CD2' ' A' ' 9' ' ' PHE . 99.6 m -85.32 141.92 29.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.507 ' HG3' HG23 ' A' ' 8' ' ' VAL . 3.7 pt20 -125.68 -174.77 3.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.392 1.057 . . . . 0.0 110.338 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 66.2 m -95.95 132.38 41.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 108.255 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.667 ' CG ' HG13 ' A' ' 8' ' ' VAL . 70.1 mt-30 -65.68 168.28 7.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.278 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.93 102.76 0.38 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.086 . . . . 0.0 110.19 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.83 1.37 8.19 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 28.4 m-85 -131.2 153.65 49.23 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.55 0.794 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.485 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 21.2 mt -130.0 148.06 51.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -83.09 135.36 34.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.35 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.555 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 26.1 p-10 -111.8 146.19 38.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.456 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.47 -29.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.2 OUTLIER -79.04 33.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.791 . . . . 0.0 110.349 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 37.53 34.11 0.14 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.401 1.063 . . . . 0.0 111.055 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.555 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.55 161.15 19.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.783 . . . . 0.0 109.28 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 m -110.04 98.94 8.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.623 1.202 . . . . 0.0 108.3 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.3 m -114.22 142.8 25.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.172 . . . . 0.0 109.248 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.48 156.71 1.43 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.413 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.485 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.08 -29.98 7.53 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 110.953 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -75.53 -6.12 48.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.03 0.24 16.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.857 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 1' ' ' GLU . 1.8 pt-20 37.01 40.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.624 1.203 . . . . 0.0 110.247 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 9' ' ' PHE . 10.7 m -46.48 169.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 108.253 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.445 ' N ' ' OE1' ' A' ' 7' ' ' GLU . . . -53.5 -169.92 0.03 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.601 1.188 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.5 Cg_endo -74.95 125.94 9.68 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.491 1.785 . . . . 0.0 111.062 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.579 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 8.4 m-20 82.44 1.76 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 4' ' ' GLY . 15.8 mt-10 -102.97 157.16 17.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.086 . . . . 0.0 110.321 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.631 HG13 ' CG ' ' A' ' 39' ' ' GLN . 7.5 m -146.04 146.33 19.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.409 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 2.9 t80 -92.31 124.58 36.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 111.031 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.426 ' O ' ' HA ' ' A' ' 34' ' ' ILE . 0.4 OUTLIER -120.83 121.15 37.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.974 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.1 p -75.98 -20.09 58.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.415 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.493 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -146.28 79.67 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 108.233 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.62 173.94 17.42 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.691 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -59.53 105.19 0.33 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 0.738 . . . . 0.0 109.948 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.02 -29.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.45 ' N ' ' C ' ' A' ' 14' ' ' SER . 22.1 m -131.99 58.14 1.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 108.265 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.691 ' HB2' ' OG ' ' A' ' 14' ' ' SER . . . -61.7 169.38 2.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.183 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.643 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.7 Cg_endo -74.89 161.54 38.86 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.394 1.734 . . . . 0.0 111.072 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 18' ' ' PRO . 7.7 p -158.21 -176.15 5.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.41 ' N ' ' HB3' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -55.37 -28.44 53.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 108.254 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.25 -50.07 9.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -115.82 90.88 28.65 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.59 1.181 . . . . 0.0 110.308 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.16 1.37 7.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.468 1.773 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.11 114.18 19.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.589 1.181 . . . . 0.0 109.245 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.7 m -41.49 153.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.28 86.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.469 HD13 ' N ' ' A' ' 27' ' ' ILE . 5.3 mm -44.08 159.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 O-C-N 124.544 1.153 . . . . 0.0 109.259 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.413 ' O ' ' HB ' ' A' ' 29' ' ' THR . 0.9 OUTLIER -114.02 -36.74 4.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 108.274 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 28' ' ' CYS . 13.3 t -175.31 -162.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.428 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -91.87 92.25 8.27 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.472 1.108 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 171.91 168.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.209 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.493 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 3.2 m -119.06 172.61 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 108.293 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.455 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -131.24 130.02 42.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.376 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.974 HG23 ' HA ' ' A' ' 11' ' ' THR . 1.0 OUTLIER -94.13 119.44 42.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.22 167.94 26.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 78.7 m -71.36 146.09 49.0 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -137.19 -176.92 4.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.415 1.072 . . . . 0.0 110.263 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 89.0 m -96.15 129.51 43.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.602 1.189 . . . . 0.0 108.314 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.631 ' CG ' HG13 ' A' ' 8' ' ' VAL . 37.9 mt-30 -68.26 172.37 5.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.582 1.176 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -64.98 104.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 110.343 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.801 ' O ' HD23 ' A' ' 52' ' ' LEU . . . 126.07 -2.63 7.86 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.562 1.164 . . . . 0.0 111.058 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 19.4 m-85 -128.8 153.72 47.13 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.509 0.77 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.482 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 17.8 mt -128.7 147.77 50.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.593 1.183 . . . . 0.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.44 ' HB3' ' CG2' ' A' ' 19' ' ' THR . 14.5 ttt180 -85.48 132.26 34.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.428 1.08 . . . . 0.0 110.249 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.559 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 26.3 p-10 -107.79 146.39 32.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.457 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.45 -29.3 0.01 OUTLIER Glycine 0 CA--C 1.528 0.879 0 O-C-N 124.486 1.117 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.3 OUTLIER -79.15 32.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 0.713 . . . . 0.0 110.313 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.457 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.23 34.2 0.21 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.559 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -114.42 157.82 22.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 0.73 . . . . 0.0 109.264 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 m -107.71 98.05 7.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 108.296 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.7 m -115.49 142.08 30.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.801 HD23 ' O ' ' A' ' 41' ' ' GLY . 1.0 OUTLIER -50.02 157.01 1.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.606 1.191 . . . . 0.0 109.325 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.482 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.08 -29.52 8.01 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -75.4 -6.92 52.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 110.258 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.52 0.16 17.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.919 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 3' ' ' CYS . 16.4 tt0 39.66 40.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.236 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 2' ' ' GLU . 26.6 m 39.97 -159.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 108.35 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.06 -171.61 26.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.594 1.184 . . . . 0.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.96 127.59 10.84 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.431 1.753 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.57 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 7.2 m-20 81.62 2.3 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -105.77 160.05 15.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.162 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.611 HG13 ' CG ' ' A' ' 39' ' ' GLN . 1.7 m -139.46 177.14 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.174 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.425 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.5 t80 -129.27 134.34 47.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -133.96 133.88 41.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 1.002 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.2 p -85.79 -0.83 56.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 110.363 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.493 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -161.28 78.57 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 108.29 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.01 166.25 13.55 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.366 1.041 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.02 106.75 0.18 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.433 0.725 . . . . 0.0 109.974 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.449 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -52.57 -31.26 35.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.133 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.1 m -116.53 41.43 2.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 108.314 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.678 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -47.61 171.07 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.244 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.678 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.2 Cg_endo -75.06 164.46 33.21 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.41 1.742 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 18' ' ' PRO . 17.1 p -156.24 -173.63 4.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.423 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -23.53 65.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 108.379 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.81 -39.69 19.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.402 1.064 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -129.74 92.03 38.62 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.12 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.467 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 18.1 Cg_endo -75.04 60.18 5.4 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.548 1.815 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 23' ' ' PRO . 0.0 OUTLIER 179.29 143.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.844 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.0 m -65.99 162.89 18.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 110.448 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -175.3 80.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.626 1.204 . . . . 0.0 110.339 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.411 ' O ' ' O ' ' A' ' 26' ' ' ARG . 1.9 mp -39.02 157.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 m -121.86 -43.5 2.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 0.0 108.287 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -151.27 165.76 33.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.399 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 ptm -75.37 55.26 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.067 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -156.5 124.85 5.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.357 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.493 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.9 m -64.89 178.96 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.229 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.449 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -132.68 129.87 39.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 1.083 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.002 HG23 ' HA ' ' A' ' 11' ' ' THR . 1.8 mt -94.98 118.44 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.3 177.59 38.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.128 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 74.1 m -83.73 147.93 27.36 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -134.17 -177.29 4.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.384 1.053 . . . . 0.0 110.279 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 86.4 m -93.41 128.33 39.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 108.268 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.611 ' CG ' HG13 ' A' ' 8' ' ' VAL . 62.8 mt-30 -63.13 169.12 3.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -63.62 103.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.283 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.6 2.06 8.19 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 26.2 m-85 -132.18 154.93 49.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 0.767 . . . . 0.0 111.081 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.487 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 37.0 mt -130.83 152.68 49.9 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.585 1.178 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 5.8 ttp85 -84.94 136.83 33.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.532 ' O ' ' N ' ' A' ' 47' ' ' GLU . 27.8 p-10 -112.42 146.41 38.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -36.04 -28.76 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.575 1.172 . . . . 0.0 111.064 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -79.15 32.94 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 0.754 . . . . 0.0 110.297 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.464 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.04 34.35 0.2 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 111.052 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.528 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -116.74 163.92 15.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 0.736 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.79 101.11 9.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 108.309 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.6 m -116.24 144.48 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.54 156.17 2.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.487 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.05 -29.99 7.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -75.4 -6.48 50.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.579 ' O ' ' O ' ' A' ' 56' ' ' CYS . 0.9 OUTLIER -110.91 -0.87 16.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.579 ' O ' ' O ' ' A' ' 55' ' ' ASN . 1.8 t . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.494 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -104.48 39.4 1.68 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.635 1.209 . . . . 0.0 110.276 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' GLY . 60.7 m -117.66 168.79 10.11 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.536 1.147 . . . . 0.0 108.295 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 3' ' ' CYS . . . -48.14 178.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.123 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.5 Cg_endo -74.99 126.65 10.11 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.532 1.806 . . . . 0.0 111.061 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.564 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 6.9 m-20 82.84 3.33 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.414 1.072 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -107.19 161.81 14.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.27 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.637 HG13 ' CG ' ' A' ' 39' ' ' GLN . 6.6 m -141.45 177.14 3.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -124.26 132.96 53.61 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -132.11 131.96 42.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.958 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -81.87 -11.84 58.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.415 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.514 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 1.8 t -148.41 73.91 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.6 1.188 . . . . 0.0 108.241 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.49 -178.81 22.43 Favored Glycine 0 CA--C 1.528 0.867 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.8 114.81 15.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.394 0.703 . . . . 0.0 110.017 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.45 -27.0 62.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 17' ' ' ALA . 1.6 m -119.18 40.74 3.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 108.272 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.595 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -45.03 168.4 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.595 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.1 Cg_endo -75.06 161.02 39.26 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.434 HG23 ' C ' ' A' ' 18' ' ' PRO . 26.1 p -152.85 -179.82 7.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.419 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -20.17 15.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 108.38 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.01 -48.25 6.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.158 . . . . 0.0 109.283 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 2.9 mt-30 -116.37 88.79 24.58 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 1.32 7.89 Favored 'Trans proline' 0 C--N 1.362 1.24 0 O-C-N 124.455 1.766 . . . . 0.0 111.045 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -120.74 114.01 21.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.3 m -42.18 162.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.78 99.06 0.18 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.564 1.165 . . . . 0.0 110.42 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.464 HG13 ' N ' ' A' ' 28' ' ' CYS . 0.5 OUTLIER -47.0 150.66 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.464 ' N ' HG13 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -116.36 -36.37 4.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 108.252 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.1 t -156.27 -179.96 8.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.62 1.2 . . . . 0.0 110.363 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.18 41.36 1.0 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -145.05 141.66 29.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.591 1.182 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.514 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.9 m -76.46 -177.04 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 108.366 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.497 ' C ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -135.65 122.93 21.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.958 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.3 OUTLIER -91.82 116.11 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.61 178.17 37.8 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 86.0 m -81.72 150.55 27.92 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -139.59 -177.64 5.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 61.3 m -90.76 123.27 34.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.307 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.637 ' CG ' HG13 ' A' ' 8' ' ' VAL . 72.9 mt-30 -49.88 166.47 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.327 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -66.93 101.68 0.87 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 110.28 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.528 ' O ' HD23 ' A' ' 52' ' ' LEU . . . 126.96 1.71 6.78 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.436 1.085 . . . . 0.0 110.954 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.767 ' O ' HD23 ' A' ' 43' ' ' LEU . 46.2 m-85 -125.8 154.43 42.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.767 HD23 ' O ' ' A' ' 42' ' ' PHE . 47.9 mt -129.88 138.52 50.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 0.0 109.311 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -78.6 129.07 34.37 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.44 1.088 . . . . 0.0 110.355 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' GLY . 21.0 p-10 -96.0 151.07 19.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -34.37 -31.67 0.02 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.476 1.11 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' ASN . 1.0 OUTLIER -83.79 34.65 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 110.313 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 37.74 38.55 0.49 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.536 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.16 122.06 44.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.3 m -78.67 95.77 5.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 108.263 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.5 m -117.31 145.08 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.528 HD23 ' O ' ' A' ' 41' ' ' GLY . 0.9 OUTLIER -52.3 157.1 2.49 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.524 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.1 Cg_endo -75.04 -29.64 7.94 Favored 'Trans proline' 0 C--N 1.361 1.233 0 O-C-N 124.506 1.793 . . . . 0.0 110.982 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -75.21 -6.65 50.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.255 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.54 0.92 16.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.919 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -159.6 47.29 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.59 1.181 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.0 m -111.09 177.77 4.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 108.281 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.84 -174.4 1.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.555 1.159 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.7 Cg_endo -74.94 125.85 9.62 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.413 1.744 . . . . 0.0 111.074 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.567 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 5.9 m-20 82.31 3.35 1.21 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.158 . . . . 0.0 109.353 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -104.16 164.44 11.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.255 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.69 HG13 ' CG ' ' A' ' 39' ' ' GLN . 4.8 m -143.98 179.54 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.43 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.6 t80 -129.85 136.02 49.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.458 ' OD1' ' NE2' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -134.06 134.31 42.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.389 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 1.035 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -85.13 -7.25 59.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.392 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.516 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -154.13 81.87 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 108.298 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.38 -178.22 20.78 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.115 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.683 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -76.02 107.59 8.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 0.798 . . . . 0.0 110.028 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.9 -23.23 2.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.419 ' N ' ' HB2' ' A' ' 28' ' ' CYS . 0.8 OUTLIER -128.66 47.02 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 108.254 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.683 ' HB2' ' OG ' ' A' ' 14' ' ' SER . . . -64.1 168.43 6.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.605 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.2 Cg_endo -75.03 154.89 42.67 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.527 1.804 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.439 HG23 ' C ' ' A' ' 18' ' ' PRO . 23.0 p -153.46 -179.67 7.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.365 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -23.52 67.44 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.453 1.095 . . . . 0.0 108.328 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.98 -58.78 3.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -137.34 90.68 15.0 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.527 ' HA ' ' CB ' ' A' ' 18' ' ' PRO . 18.0 Cg_endo -75.03 60.81 5.56 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.539 1.81 . . . . 0.0 110.923 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.05 122.27 15.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.64 HG23 ' HA ' ' A' ' 17' ' ' ALA . 1.3 m -97.27 141.46 30.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.379 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.684 ' C ' HD12 ' A' ' 27' ' ' ILE . 0.6 OUTLIER -175.49 41.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.584 1.178 . . . . 0.0 110.271 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.684 HD12 ' C ' ' A' ' 26' ' ' ARG . 3.2 mp 53.97 169.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.408 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.51 ' N ' HG22 ' A' ' 27' ' ' ILE . 0.5 OUTLIER -132.51 -47.13 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 108.319 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.9 p -140.11 -167.46 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.424 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.9 mtt -92.11 55.73 2.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 110.967 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 176.77 167.16 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 110.262 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.516 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 8.7 m -86.15 174.68 8.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.392 1.057 . . . . 0.0 108.291 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.478 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -124.49 125.47 44.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.38 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.035 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -92.33 121.2 42.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.78 176.78 38.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 57.7 m -83.91 142.52 30.49 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.476 ' HG3' HG23 ' A' ' 8' ' ' VAL . 3.4 pt20 -127.0 -171.3 2.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 44' ' ' ARG . 63.8 m -102.61 132.2 48.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 108.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.69 ' CG ' HG13 ' A' ' 8' ' ' VAL . 11.6 mt-30 -64.35 171.34 3.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -64.08 111.04 2.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.412 1.07 . . . . 0.0 110.322 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.76 -2.77 21.45 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 42.9 m-85 -125.12 157.28 36.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.491 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 12.1 mt -130.87 153.7 48.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.374 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.46 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -85.11 115.24 22.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.629 1.206 . . . . 0.0 110.313 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.655 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.4 p-10 -92.67 135.24 34.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.08 . . . . 0.0 109.401 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -54.91 -7.55 1.08 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.476 ' H ' ' C ' ' A' ' 45' ' ' ASN . 3.1 tt0 -73.87 -0.9 17.41 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.511 0.771 . . . . 0.0 110.417 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.25 35.91 16.31 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.414 1.072 . . . . 0.0 111.002 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.655 ' HB3' HD21 ' A' ' 45' ' ' ASN . . . -154.0 -176.92 6.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 4.6 m -120.29 117.3 27.45 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 108.249 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.587 HG22 ' HB3' ' A' ' 45' ' ' ASN . 29.5 m -125.21 143.36 39.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mp -50.65 156.76 1.47 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.491 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.96 -29.25 8.5 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.555 1.818 . . . . 0.0 111.037 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.69 -7.48 54.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -109.77 -0.88 18.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.259 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.449 -0.504 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 3' ' ' CYS . 11.9 tt0 -172.37 73.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.438 ' O ' ' O ' ' A' ' 2' ' ' GLU . 35.4 m 39.94 -159.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 0.0 108.351 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.71 -174.27 42.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.492 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.1 Cg_endo -75.08 125.69 9.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.597 1.84 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.576 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 5.4 m-20 83.21 2.29 1.03 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -101.13 160.94 13.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.618 HG13 ' CG ' ' A' ' 39' ' ' GLN . 5.9 m -146.48 153.85 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.429 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.441 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.0 OUTLIER -108.46 129.33 55.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.418 ' OD1' ' CD ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -131.61 134.78 46.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.983 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.3 p -81.61 -4.24 55.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.465 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.505 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 0.6 OUTLIER -157.47 80.6 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 108.265 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.6 172.77 14.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.115 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.508 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 6.8 p -58.49 107.91 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 109.951 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.466 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -52.45 -33.03 42.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.227 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m -117.54 45.82 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.292 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.64 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -46.0 169.74 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.64 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.2 Cg_endo -75.04 154.84 42.61 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.544 1.813 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 44' ' ' ARG . 39.5 p -144.67 177.31 8.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -23.6 49.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 108.284 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.19 -46.65 9.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.386 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -118.19 86.57 27.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 1.97 7.17 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.532 1.806 . . . . 0.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.94 112.1 19.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 m -39.15 155.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.53 92.26 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.593 1.183 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.458 ' H ' HD12 ' A' ' 27' ' ' ILE . 2.7 mp -43.71 158.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -124.07 -44.73 2.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 108.318 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.2 p -135.61 -173.94 3.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.389 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.0 mtp -99.3 35.77 1.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 111.053 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.87 157.45 44.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.505 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.8 m -82.02 178.55 8.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 108.263 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.491 ' C ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -132.86 123.98 27.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.983 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -88.73 117.85 32.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.79 179.41 38.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.429 1.08 . . . . 0.0 110.962 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.441 ' SG ' ' CD2' ' A' ' 9' ' ' PHE . 72.3 m -86.15 145.22 27.11 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.418 ' CD ' ' OD1' ' A' ' 10' ' ' ASN . 14.8 pt20 -134.93 -175.63 3.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.1 m -93.61 128.38 39.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 108.329 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.618 ' CG ' HG13 ' A' ' 8' ' ' VAL . 23.9 mt-30 -61.36 168.42 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.09 103.26 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.56 0.23 7.31 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.805 ' O ' HD23 ' A' ' 43' ' ' LEU . 43.8 m-85 -127.98 154.17 45.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.801 . . . . 0.0 111.046 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.805 HD23 ' O ' ' A' ' 42' ' ' PHE . 44.2 mt -130.57 136.36 48.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.153 . . . . 0.0 109.243 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.41 ' O ' ' HB ' ' A' ' 19' ' ' THR . 4.4 ttt180 -77.82 128.4 33.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.552 ' O ' ' N ' ' A' ' 48' ' ' GLY . 23.9 p-10 -93.01 152.43 19.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -33.86 -32.45 0.02 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.547 1.155 . . . . 0.0 110.977 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 45' ' ' ASN . 2.0 tp10 -85.21 36.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 37.47 38.17 0.4 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.487 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -111.8 117.96 34.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 54.2 m -75.74 95.37 3.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 108.366 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.6 m -117.99 145.5 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.688 ' H ' HD12 ' A' ' 52' ' ' LEU . 4.4 mp -52.97 157.1 3.01 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.366 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.503 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.03 -29.18 8.46 Favored 'Trans proline' 0 C--N 1.358 1.065 0 O-C-N 124.571 1.827 . . . . 0.0 111.06 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -75.26 -7.25 53.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.84 0.23 17.14 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.495 ' HA ' ' OE1' ' A' ' 1' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' A' ' 1' ' ' GLU . 4.5 mm-40 -90.98 34.32 0.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.615 1.197 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.4 m -104.41 174.91 5.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 108.311 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.26 179.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.518 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.4 Cg_endo -75.02 125.59 9.41 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.551 1.816 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 6.1 m-20 82.87 4.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -94.41 160.38 14.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.595 HG13 ' CG ' ' A' ' 39' ' ' GLN . 2.8 m -146.75 135.95 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.503 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 1.2 t80 -94.14 131.63 39.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.103 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.422 ' OD1' ' CD ' ' A' ' 37' ' ' GLN . 8.5 m120 -130.77 131.44 44.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.557 1.16 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 1.014 ' HA ' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -86.26 12.43 9.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.508 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 1.0 OUTLIER -178.35 76.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 108.297 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -115.55 172.89 14.44 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.577 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 1.3 p -41.2 106.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 0.751 . . . . 0.0 109.953 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.455 ' HA ' ' CB ' ' A' ' 33' ' ' ARG . . . -40.47 -33.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 m -132.64 57.08 1.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 108.277 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.592 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -46.19 167.68 0.13 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.388 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.592 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.1 Cg_endo -75.08 159.55 40.96 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.51 1.795 . . . . 0.0 110.992 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.604 ' O ' HD13 ' A' ' 43' ' ' LEU . 24.5 p -151.48 -167.72 2.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.167 . . . . 0.0 110.346 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.47 -20.71 61.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.135 . . . . 0.0 108.3 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.22 -37.11 16.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.436 1.085 . . . . 0.0 109.193 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -130.73 86.41 52.66 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 61.37 5.68 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.607 1.846 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.34 143.02 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.375 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.7 m -63.35 151.14 41.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.432 1.082 . . . . 0.0 110.484 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.37 84.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.263 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.478 HD13 ' N ' ' A' ' 27' ' ' ILE . 5.0 mm -41.05 159.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -113.1 -33.92 5.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 108.278 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.8 t -174.07 163.12 3.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.394 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.438 ' O ' ' CB ' ' A' ' 31' ' ' GLN . 7.4 ttp -58.27 92.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.438 ' CB ' ' O ' ' A' ' 30' ' ' MET . 3.9 mt-30 164.7 165.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.508 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 3.5 m -104.09 176.1 5.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 108.349 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.455 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -132.44 116.97 17.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.229 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.014 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.9 OUTLIER -83.94 122.71 38.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.24 173.9 31.48 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.554 1.159 . . . . 0.0 111.056 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.503 ' SG ' ' CD2' ' A' ' 9' ' ' PHE . 63.6 m -84.99 140.54 30.98 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.422 ' CD ' ' OD1' ' A' ' 10' ' ' ASN . 4.1 pt20 -128.23 -173.42 2.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.375 1.047 . . . . 0.0 110.262 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 43' ' ' LEU . 92.5 m -98.65 131.61 44.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 108.302 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.595 ' CG ' HG13 ' A' ' 8' ' ' VAL . 28.7 mt-30 -69.85 172.01 8.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.672 1.232 . . . . 0.0 110.297 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -63.15 102.89 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.336 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.91 4.31 7.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 6' ' ' ASN . 10.3 m-85 -137.35 150.56 47.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 0.727 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' ' 19' ' ' THR . 11.7 mt -128.45 149.89 50.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.367 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.431 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 38.7 ttp180 -85.12 133.89 34.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.559 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 26.4 p-10 -110.15 146.35 35.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.46 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.56 -29.29 0.02 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.497 1.123 . . . . 0.0 111.073 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 45' ' ' ASN . 2.0 tt0 -78.9 32.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 0.741 . . . . 0.0 110.374 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 38.36 34.41 0.23 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.555 1.16 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.559 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.95 159.07 22.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.81 97.26 6.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 108.308 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.6 m -111.3 142.66 23.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.086 . . . . 0.0 109.234 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.59 156.43 0.85 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.363 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -30.19 7.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.442 1.759 . . . . 0.0 111.045 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -75.51 -6.78 51.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.417 1.073 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.31 0.4 18.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.869 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 3' ' ' CYS . 11.4 tt0 -146.52 61.78 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.168 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.444 ' O ' ' O ' ' A' ' 2' ' ' GLU . 33.6 m 39.75 -159.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.267 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.8 -172.62 42.44 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.556 1.16 . . . . 0.0 111.083 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.1 Cg_endo -75.01 126.06 9.71 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.624 1.855 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.587 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 7.8 m-20 82.21 3.45 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -106.6 158.02 17.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.668 HG13 ' CG ' ' A' ' 39' ' ' GLN . 16.3 m -142.15 163.53 18.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -114.44 129.38 56.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.96 137.85 52.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 1.009 ' HA ' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -86.29 -13.13 47.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.446 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.49 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -150.18 80.07 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 108.37 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.47 173.24 17.63 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.588 1.18 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.662 ' OG ' ' HB2' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -59.36 102.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 110.04 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.66 -30.59 0.64 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.7 m -127.47 56.56 1.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 108.274 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.662 ' HB2' ' OG ' ' A' ' 14' ' ' SER . . . -62.95 168.3 4.82 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.612 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.4 Cg_endo -75.04 161.24 38.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.792 . . . . 0.0 111.066 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 18' ' ' PRO . 14.1 p -153.82 -179.39 7.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.422 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -24.6 42.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 108.314 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.26 -47.67 8.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -116.73 88.66 25.92 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 1.96 7.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 111.052 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -120.75 113.39 20.11 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 109.317 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 m -48.55 154.66 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.382 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.46 92.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.328 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.506 ' H ' HD12 ' A' ' 27' ' ' ILE . 2.9 mp -40.98 160.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -123.65 -44.02 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 108.298 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.43 HG23 ' HB2' ' A' ' 31' ' ' GLN . 15.0 t -171.54 169.76 5.99 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.461 1.101 . . . . 0.0 110.355 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.443 ' CG ' ' O ' ' A' ' 30' ' ' MET . 3.0 ptp -68.95 63.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 111.061 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.43 ' HB2' HG23 ' A' ' 29' ' ' THR . 6.5 mm-40 -153.18 164.95 37.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.113 . . . . 0.0 110.372 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.49 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 3.7 m -120.39 174.39 6.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 108.329 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.53 131.9 45.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.009 HG23 ' HA ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -95.99 120.0 44.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.59 177.69 35.81 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.115 . . . . 0.0 110.95 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 77.1 m -81.71 150.22 28.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -141.32 -178.06 5.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 110.242 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 87.4 m -91.82 133.7 35.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.094 . . . . 0.0 108.26 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.668 ' CG ' HG13 ' A' ' 8' ' ' VAL . 39.4 mt-30 -69.92 175.69 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.253 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -67.46 102.74 1.17 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.503 1.127 . . . . 0.0 110.235 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.83 -3.45 8.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.423 1.077 . . . . 0.0 111.019 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.587 ' CE1' ' HB3' ' A' ' 6' ' ' ASN . 13.2 m-85 -127.3 151.52 48.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 0.734 . . . . 0.0 110.977 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 53' ' ' PRO . 16.4 mt -128.41 150.42 50.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.442 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 2.6 tmm_? -84.62 135.01 34.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.337 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.558 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 26.4 p-10 -111.67 146.03 38.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.457 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -35.8 -29.24 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.416 1.072 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -78.96 33.38 0.22 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.453 0.737 . . . . 0.0 110.355 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.457 ' H ' ' C ' ' A' ' 46' ' ' GLY . . . 37.78 34.36 0.17 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.558 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -115.52 163.42 15.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.382 0.695 . . . . 0.0 109.239 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -111.92 97.69 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 108.428 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.7 m -113.95 142.37 26.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mp -50.61 156.98 1.38 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.634 1.209 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.476 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.1 Cg_endo -75.07 -29.84 7.7 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.594 1.839 . . . . 0.0 110.962 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.21 -7.14 53.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.08 0.02 18.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 N--CA 1.449 -0.523 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 59.91 55.96 3.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.169 . . . . 0.0 110.367 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.3 m -121.85 170.42 9.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 108.246 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.06 -170.21 44.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.136 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 18.2 Cg_endo -74.96 128.93 11.91 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.503 1.791 . . . . 0.0 110.959 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.573 ' HB3' ' CD2' ' A' ' 42' ' ' PHE . 3.0 m120 82.93 0.81 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -101.58 155.23 18.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.545 HG13 ' CG ' ' A' ' 39' ' ' GLN . 19.6 m -149.28 140.47 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.46 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 2.1 t80 -89.33 127.62 35.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.444 ' ND2' ' CD ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -128.93 129.03 44.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.374 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 1.005 ' HA ' HG23 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -76.86 -5.63 49.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 -179.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.516 ' CA ' ' HB3' ' A' ' 32' ' ' CYS . 1.9 t -151.91 73.44 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 108.389 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.48 -155.55 24.42 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.532 1.145 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.22 111.06 22.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 0.728 . . . . 0.0 109.98 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.49 ' CA ' ' HB2' ' A' ' 33' ' ' ARG . . . -56.95 -31.45 65.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.37 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -115.37 38.31 3.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 108.29 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.647 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -51.72 169.92 0.23 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.591 1.182 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.647 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.2 Cg_endo -75.02 168.37 24.98 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 110.977 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 18' ' ' PRO . 19.2 p -157.45 177.66 11.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 110.418 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.406 ' N ' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -58.23 -19.82 36.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.287 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.22 -44.67 8.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -115.42 88.9 20.17 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.322 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 1.43 7.69 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.9 114.97 22.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.601 1.188 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.5 m -42.17 163.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.462 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 27' ' ' ILE . 6.9 tpm_? -168.02 81.1 0.18 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.514 1.134 . . . . 0.0 110.396 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.546 HD13 ' N ' ' A' ' 27' ' ' ILE . 4.1 mm -37.6 154.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.51 -33.8 6.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 108.317 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.4 t -166.28 -163.52 0.61 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.49 1.119 . . . . 0.0 110.35 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.27 42.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.068 . . . . 0.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -143.31 140.59 30.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.516 ' HB3' ' CA ' ' A' ' 12' ' ' CYS . 11.1 m -71.49 -179.42 2.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 108.305 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.49 ' HB2' ' CA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -128.42 118.63 23.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.095 . . . . 0.0 110.275 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.005 HG23 ' HA ' ' A' ' 11' ' ' THR . 1.4 mt -90.64 118.17 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.68 174.92 26.1 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.549 1.156 . . . . 0.0 111.05 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 86.2 m -76.6 140.64 41.11 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.444 ' CD ' ' ND2' ' A' ' 10' ' ' ASN . 14.6 pt20 -134.47 -169.65 2.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.0 m -99.33 121.95 41.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 108.284 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.56 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 42.6 mt-30 -50.78 165.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -66.7 101.27 0.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.662 ' O ' HD23 ' A' ' 52' ' ' LEU . . . 125.95 2.07 7.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.74 ' O ' HD23 ' A' ' 43' ' ' LEU . 41.2 m-85 -125.85 154.62 42.42 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.516 0.774 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.74 HD23 ' O ' ' A' ' 42' ' ' PHE . 54.2 mt -129.98 140.53 50.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.563 1.164 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.26 134.44 39.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.294 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.573 ' OD1' ' N ' ' A' ' 49' ' ' ALA . 18.9 p-10 -107.34 146.97 30.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -34.28 -30.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 45' ' ' ASN . 1.6 tt0 -80.63 34.21 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 110.294 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 36.68 36.64 0.17 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.37 1.044 . . . . 0.0 111.005 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.573 ' N ' ' OD1' ' A' ' 45' ' ' ASN . . . -120.44 130.27 54.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.765 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.5 m -84.74 101.2 12.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 108.253 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.4 m -118.47 145.98 23.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.662 HD23 ' O ' ' A' ' 41' ' ' GLY . 1.0 OUTLIER -52.46 156.82 2.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.522 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 18.6 Cg_endo -74.96 -29.79 7.92 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.42 1.748 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.01 -6.85 51.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.39 0.12 16.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.45 -0.459 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.906 . . . . . . . . 0 0 . 1 stop_ save_