data_1ri0_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 1ri0 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.631 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.459 0.171 . . . . 0.0 111.02 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.67 176.26 11.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.421 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 2.2 t -42.69 143.27 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.172 . . . . 0.0 108.285 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.18 -2.86 85.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -86.12 129.66 34.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.262 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -102.9 127.45 50.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.364 1.04 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -145.59 178.63 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.434 1.083 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.461 ' O ' ' NE2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -92.3 114.75 27.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.952 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.499 ' CA ' HD21 ' A' ' 63' ' ' LEU . . . -110.99 130.03 55.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.523 ' HB3' ' CG ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -111.59 153.94 25.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -130.56 162.1 30.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.96 118.61 5.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.342 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.13 -14.08 51.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -111.32 134.4 21.15 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.772 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.593 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -75.0 155.35 42.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.523 ' CG ' ' HB3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -43.02 111.77 0.3 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.388 1.055 . . . . 0.0 109.577 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.61 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -113.25 157.79 40.03 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.576 1.173 . . . . 0.0 108.015 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 102.88 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.462 1.77 . . . . 0.0 111.063 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 16' ' ' VAL . . . -125.58 147.82 49.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -94.61 160.18 14.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.581 HD11 ' CE2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -87.87 144.61 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.431 ' N ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -154.16 150.0 27.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.398 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -92.33 147.97 22.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.149 . . . . 0.0 110.272 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.473 ' CG ' ' O ' ' A' ' 33' ' ' MET . 3.0 ptt? -73.95 113.56 24.37 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 111.051 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 174.77 12.2 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -144.57 41.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.624 1.203 . . . . 0.0 110.224 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.14 -70.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 109.299 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.03 -47.94 79.72 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.349 1.031 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.1 m -138.21 177.14 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.27 103.58 14.58 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.2 m -63.42 175.54 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.055 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.2 p -117.07 -172.17 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.353 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . -100.58 177.61 4.96 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.405 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 5.9 p30 41.33 62.05 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.2 147.26 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.581 ' CE2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -129.88 152.85 48.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 31' ' ' ASP . 32.0 tt0 -89.67 127.27 35.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.4 t -123.99 134.85 65.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.61 ' CE1' ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -111.31 114.12 27.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 54' ' ' GLU . 5.7 m-85 -86.94 126.29 34.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.438 1.087 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.543 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 17.6 m-85 -78.53 -58.72 3.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.59 -56.23 2.51 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.442 1.088 . . . . 0.0 111.082 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.3 p -79.57 -31.11 41.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.767 . . . . 0.0 110.434 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.7 t60 74.29 39.35 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.641 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 49' ' ' PHE . 7.8 pt-20 -140.19 159.2 42.72 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.61 ' OG1' ' CE1' ' A' ' 48' ' ' PHE . 46.1 m -98.76 148.15 24.17 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.622 1.201 . . . . 0.0 110.407 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -147.37 140.47 25.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -75.12 100.65 4.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 62' ' ' ASP . 13.2 mt -131.24 172.91 11.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.088 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.07 -157.1 9.37 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.15 . . . . 0.0 110.933 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.12 -24.2 12.86 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.447 1.762 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -72.81 -20.77 61.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.437 ' HB3' ' CD1' ' A' ' 58' ' ' LEU . 1.2 m-20 -105.11 10.67 33.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.499 HD21 ' CA ' ' A' ' 18' ' ' ALA . 7.0 mt -133.92 133.02 40.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -133.8 132.9 21.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 111.021 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.96 162.81 36.6 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.557 1.819 . . . . 0.0 111.011 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.436 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 7.5 t80 -59.14 -41.39 88.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -52.89 -48.47 67.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.252 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.43 -45.6 37.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 74' ' ' GLY . 0.5 OUTLIER -56.03 -51.25 68.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.011 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.436 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -66.18 -25.06 66.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -42.81 91.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.6 -65.77 0.99 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.515 1.134 . . . . 0.0 109.205 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -131.44 -72.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.673 1.233 . . . . 0.0 110.99 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 76.02 2.3 71.29 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.46 94.17 23.34 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.567 0.804 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.425 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.2 Cg_endo -74.94 175.56 11.06 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.435 1.755 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.572 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 2.4 m-80 -48.58 140.0 8.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.14 90.35 6.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.457 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 6.0 mmm180 -100.84 -175.35 2.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 0.0 110.254 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -67.93 -45.92 72.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.13 -10.36 73.53 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.542 1.151 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.61 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 3.2 t80 -82.15 -44.24 16.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 0.727 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.2 OUTLIER -66.56 -55.23 16.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.952 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -69.33 -27.02 65.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 110.209 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.78 -56.39 8.36 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -58.91 -28.62 66.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 0.804 . . . . 0.0 109.36 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.559 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -85.05 -22.37 29.02 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.67 -24.86 62.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.543 ' HB ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -97.49 -44.31 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.436 ' N ' HD12 ' A' ' 89' ' ' ILE . 15.6 mm-40 -74.95 -28.62 60.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.14 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.559 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -134.22 67.3 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.3 p30 . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.966 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.507 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 2.9 p90 . . . . . 0 N--CA 1.451 -0.378 0 CA-C-O 120.517 0.199 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -139.81 -178.74 5.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -40.48 133.96 1.82 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 108.331 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.34 -10.12 65.14 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.44 1.087 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.1 131.69 35.24 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.93 143.81 32.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -161.97 176.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.548 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -93.97 117.38 30.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.994 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.6 134.62 34.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.331 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.516 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 4.1 tptt -124.61 121.65 35.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.591 1.182 . . . . 0.0 109.356 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.1 ttp -131.27 155.89 46.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.948 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -56.96 123.46 15.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.46 -18.95 30.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.539 1.149 . . . . 0.0 111.081 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 26' ' ' TRP . 25.1 t80 -110.62 122.32 38.68 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.472 0.748 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.511 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -75.0 156.92 43.0 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -41.68 114.22 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.552 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.58 ' CZ2' ' HB2' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -126.29 153.28 74.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 108.044 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.437 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.1 Cg_endo -75.06 102.87 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.401 1.738 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 49' ' ' PHE . . . -121.74 148.35 44.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.405 1.065 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.459 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 11.5 ptt180 -96.19 153.96 17.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.603 1.189 . . . . 0.0 110.21 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.576 HD12 ' CE2' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -80.55 146.2 7.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 109.18 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.47 ' CB ' ' HB3' ' A' ' 46' ' ' GLN . 1.3 m-20 -148.42 152.24 36.63 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.232 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -108.61 154.03 22.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.9 mmm -82.27 115.34 57.25 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.591 1.182 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 169.2 23.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -142.48 33.46 1.46 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 110.339 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -99.66 -70.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.67 -44.98 66.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.372 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.3 m -142.63 162.37 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.78 102.91 12.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.248 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 m -107.82 168.04 9.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.971 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.1 p -86.32 124.13 32.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.113 . . . . 0.0 110.406 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.92 122.29 28.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -163.01 -43.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.58 1.175 . . . . 0.0 109.353 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.47 178.69 4.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.576 ' CE2' HD12 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -111.77 152.3 27.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.47 ' HB3' ' CB ' ' A' ' 31' ' ' ASP . 1.8 tt0 -89.16 138.33 31.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.4 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -128.38 140.54 48.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.393 1.058 . . . . 0.0 109.348 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.603 ' CE2' ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -131.83 109.81 10.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 111.028 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.472 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 4.7 m-85 -80.99 120.89 25.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.564 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 5.2 m-85 -71.28 -58.42 3.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.989 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.95 -56.08 2.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.501 HG23 ' CE1' ' A' ' 23' ' ' TYR . 2.3 p -81.51 -31.07 33.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 0.752 . . . . 0.0 110.383 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' PHE . 7.6 t-80 74.54 37.84 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.659 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -121.42 177.95 4.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.603 ' OG1' ' CE2' ' A' ' 48' ' ' PHE . 24.6 m -134.11 150.84 51.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 110.412 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -156.77 171.87 19.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.232 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.599 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 47.3 p90 -97.19 105.3 17.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.412 ' O ' ' O ' ' A' ' 45' ' ' TYR . 8.3 mp -133.46 177.65 7.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.26 -157.17 8.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -75.01 -27.74 9.75 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.482 1.78 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -69.76 -42.87 73.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.54 -8.65 56.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' A' ' 60' ' ' PRO . 15.7 mt -113.06 115.98 29.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.537 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 1.9 m-85 -103.21 142.57 24.85 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.375 1.047 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 166.49 29.07 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.539 1.81 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.594 ' CE1' ' CD ' ' A' ' 70' ' ' LYS . 5.9 t80 -81.82 -37.75 26.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.81 -49.97 69.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.235 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -68.85 -33.78 74.38 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.488 1.118 . . . . 0.0 110.34 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.487 ' CB ' ' HA3' ' A' ' 74' ' ' GLY . 0.7 OUTLIER -64.95 -53.6 43.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.977 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.594 ' CD ' ' CE1' ' A' ' 66' ' ' TYR . 3.2 pttm -66.92 -16.28 64.22 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.56 -49.13 61.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.43 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.3 -69.05 0.82 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.611 1.195 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' A' ' 69' ' ' SER . 1.5 m-85 -133.05 -83.52 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 111.009 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.487 ' HA3' ' CB ' ' A' ' 69' ' ' SER . . . 72.33 9.16 72.35 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -113.54 95.53 36.75 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.47 0.747 . . . . 0.0 109.344 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.467 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.3 Cg_endo -75.02 174.01 13.53 Favored 'Trans proline' 0 C--N 1.362 1.249 0 O-C-N 124.541 1.811 . . . . 0.0 111.052 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.526 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 4.1 m-80 -49.6 130.61 20.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.208 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.607 ' CD ' ' CE1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -83.49 87.42 7.0 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.527 1.142 . . . . 0.0 109.381 179.89 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.491 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 25.0 mmt85 -99.98 -174.54 2.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.076 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -49.86 55.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -70.22 -9.15 63.39 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.619 1.2 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.607 ' CE1' ' CD ' ' A' ' 78' ' ' LYS . 1.6 t80 -81.77 -44.58 16.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 0.8 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 22.9 t -67.28 -55.98 11.68 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.592 1.182 . . . . 0.0 109.997 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 5.1 pt-20 -69.41 -23.01 63.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.404 ' O ' HG21 ' A' ' 89' ' ' ILE . . . -74.18 -57.09 4.9 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.516 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -58.52 -27.97 64.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 0.794 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.559 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -86.55 -22.06 26.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -70.66 -24.11 62.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.564 ' HB ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -97.71 -43.79 12.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.45 ' N ' HD12 ' A' ' 89' ' ' ILE . 1.9 mm-40 -74.78 -29.49 61.13 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 0.0 110.348 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.559 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -134.08 68.62 1.48 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 109.441 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.0 p30 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.941 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.567 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 2.7 p90 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.489 0.185 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' CYS . 2.5 mtpp -138.86 -179.99 6.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' LYS . 28.9 p -39.19 136.2 0.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 108.222 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.99 -6.44 81.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -87.02 129.09 35.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -104.53 130.69 52.45 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.162 . . . . 0.0 109.267 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.476 ' CG2' HD21 ' A' ' 63' ' ' LEU . 1.5 m -148.38 179.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.236 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.521 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -91.25 125.68 36.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.504 ' CB ' HD22 ' A' ' 63' ' ' LEU . . . -125.1 135.29 52.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -122.32 149.5 43.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.422 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -131.15 160.84 33.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.89 122.42 12.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.17 -20.32 30.26 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.511 ' OH ' ' CG2' ' A' ' 52' ' ' THR . 5.5 t80 -111.11 131.92 21.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.951 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.463 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.6 Cg_endo -74.89 155.14 43.46 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.471 1.774 . . . . 0.0 111.052 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -41.08 116.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.664 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.592 ' CZ2' ' HB2' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -123.61 157.33 62.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.6 1.188 . . . . 0.0 107.952 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.523 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -74.99 103.64 1.77 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.5 ' HB1' ' CD1' ' A' ' 49' ' ' PHE . . . -121.76 145.77 47.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -94.28 160.19 14.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.333 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.587 HD11 ' CE2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -85.95 147.32 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.15 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.435 ' N ' HD12 ' A' ' 30' ' ' ILE . 3.3 m-20 -156.67 150.51 24.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.88 152.26 18.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.08 117.78 65.51 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 171.35 18.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.42 1.747 . . . . 0.0 111.008 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -145.59 36.08 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.58 -65.79 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.232 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.56 -49.16 77.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.359 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.8 m -137.41 177.08 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.352 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.92 107.62 19.17 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.1 m -68.47 176.45 2.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.044 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 48.4 p -115.67 -173.32 2.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -103.41 -179.92 4.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.9 p30 41.28 59.88 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.37 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.512 ' HE3' ' CD1' ' A' ' 57' ' ' PHE . 4.2 ptmm? -172.48 147.26 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.587 ' CE2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -127.83 152.35 47.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 31' ' ' ASP . 34.8 tt0 -93.02 130.61 38.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 110.248 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.7 t -125.77 139.91 50.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.47 1.106 . . . . 0.0 109.217 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.596 ' CE1' ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -115.84 109.69 18.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 111.076 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.5 ' CD1' ' HB1' ' A' ' 28' ' ' ALA . 3.5 m-85 -81.18 126.1 31.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.519 ' CG ' ' HB ' ' A' ' 89' ' ' ILE . 9.8 m-85 -77.22 -59.05 2.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.165 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.41 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . -38.45 -56.64 1.93 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.511 ' CG2' ' OH ' ' A' ' 23' ' ' TYR . 23.8 p -81.49 -31.27 32.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.397 0.704 . . . . 0.0 110.352 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.5 t60 74.61 39.14 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.6 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -136.76 154.81 50.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.075 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.596 ' OG1' ' CE1' ' A' ' 48' ' ' PHE . 23.5 m -96.18 151.64 19.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -153.7 150.4 28.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.251 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.512 ' CD1' ' HE3' ' A' ' 44' ' ' LYS . 25.7 m-85 -76.68 109.56 10.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 45' ' ' TYR . 6.7 mp -141.54 176.99 8.44 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.516 1.135 . . . . 0.0 109.365 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.58 -155.85 6.61 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.454 1.096 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.3 Cg_endo -74.92 -25.18 12.28 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.579 1.831 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.28 -28.85 64.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -96.62 -2.29 45.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.504 HD22 ' CB ' ' A' ' 18' ' ' ALA . 11.7 mt -117.55 143.64 45.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -135.91 145.73 53.9 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.487 1.117 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 166.16 29.8 Favored 'Trans proline' 0 C--N 1.362 1.259 0 O-C-N 124.474 1.776 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.431 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 5.1 t80 -81.77 -35.47 29.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -50.49 72.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.23 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -68.94 -47.65 65.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.436 ' HB2' ' CA ' ' A' ' 74' ' ' GLY . 5.4 p -59.16 -51.37 70.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.974 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.431 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -68.01 -13.7 62.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -50.91 41.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.28 -67.67 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' SER . 6.1 m-85 -132.55 -85.35 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 111.045 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.436 ' CA ' ' HB2' ' A' ' 69' ' ' SER . . . 71.26 9.9 68.58 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -113.89 95.25 37.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.477 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.3 Cg_endo -75.06 174.94 11.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.546 1.814 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.545 ' H ' ' ND2' ' A' ' 77' ' ' ASN . 1.9 m-80 -49.09 136.48 14.72 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.512 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -90.47 91.48 8.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.098 . . . . 0.0 109.355 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.443 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 6.1 mmt180 -100.54 -175.44 2.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.358 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -43.47 78.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.76 -10.61 80.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.42 1.075 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.592 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 3.3 t80 -81.52 -46.5 14.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 0.786 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.1 OUTLIER -66.17 -55.3 16.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.168 . . . . 0.0 110.024 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -69.32 -26.3 64.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.267 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.411 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -69.79 -57.09 7.45 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.62 -30.43 67.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.633 0.843 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.533 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -82.99 -20.94 34.17 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.51 -24.15 60.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.519 ' HB ' ' CG ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -98.21 -45.05 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.234 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.444 ' N ' HD13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -74.57 -28.59 61.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.342 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.561 ' ND2' ' N ' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -134.48 61.27 1.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.585 1.178 . . . . 0.0 109.225 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.9 p30 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.498 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 2.8 p90 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.523 0.201 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.34 -179.7 5.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.7 t -43.0 142.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 108.194 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.85 -21.87 40.48 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.538 1.149 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.05 138.48 40.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.395 0.703 . . . . 0.0 109.282 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.499 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 34.2 tp -112.82 141.74 46.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.407 1.067 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 15' ' ' LEU . 2.2 m -164.01 178.33 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -92.52 120.15 32.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.04 147.57 24.92 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.576 1.172 . . . . 0.0 109.311 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 6.8 tptm -137.27 118.39 14.43 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -134.22 165.56 24.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.68 135.63 51.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.0 6.24 12.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.425 1.078 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.608 ' CE1' ' HB2' ' A' ' 26' ' ' TRP . 15.2 t80 -126.81 115.18 22.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 0.0 110.955 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.574 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -74.91 156.9 43.41 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.479 1.778 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -46.76 117.72 1.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.608 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.608 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -134.03 158.56 75.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.602 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.3 Cg_endo -74.91 103.44 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.54 145.55 47.84 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.477 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -94.85 140.46 29.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.564 HD12 ' CE2' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -73.37 141.37 16.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.506 ' O ' ' CB ' ' A' ' 46' ' ' GLN . 5.4 m-20 -144.9 147.52 32.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -96.75 148.55 22.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.305 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.414 ' CG ' ' O ' ' A' ' 33' ' ' MET . 5.6 ptm -77.88 118.48 72.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.179 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 174.06 13.44 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.533 1.807 . . . . 0.0 111.032 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -103.86 29.75 5.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.259 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.17 -63.74 1.37 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.56 -46.54 85.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -143.25 177.06 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.0 144.62 57.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.1 t -96.61 74.38 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.062 . . . . 0.0 110.07 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 86.8 m -117.09 174.2 6.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.501 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -100.57 127.84 46.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.419 1.074 . . . . 0.0 109.353 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.3 p30 168.93 -32.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -146.31 144.3 29.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.564 ' CE2' HD12 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -104.7 152.19 22.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.506 ' CB ' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -84.32 133.09 34.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -124.64 145.51 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.605 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -137.42 113.73 10.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.154 . . . . 0.0 110.978 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.414 ' HB2' ' OG1' ' A' ' 52' ' ' THR . 3.7 m-85 -85.7 129.79 34.73 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.55 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 12.8 m-85 -79.85 -60.61 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.06 -57.54 2.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.569 1.168 . . . . 0.0 111.052 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.414 ' OG1' ' HB2' ' A' ' 49' ' ' PHE . 33.9 p -78.94 -28.71 43.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 0.766 . . . . 0.0 110.485 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 70.69 40.71 0.98 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 109.583 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -123.06 165.39 16.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.605 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 1.3 m -123.32 143.24 50.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.407 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.443 ' N ' HG22 ' A' ' 55' ' ' THR . . . -153.03 -179.69 7.91 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.464 1.103 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.457 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 41.6 p90 -107.49 115.22 29.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 45' ' ' TYR . 95.2 mt -141.5 176.74 8.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.1 -157.17 8.96 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -29.5 8.14 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.538 1.81 . . . . 0.0 111.053 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -35.03 77.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -86.73 2.0 50.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.377 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.474 ' CD1' HG12 ' A' ' 30' ' ' ILE . 15.2 mt -121.55 120.76 35.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -112.11 140.45 23.54 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.395 1.059 . . . . 0.0 110.998 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 169.69 22.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -82.47 -39.22 22.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -51.26 64.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -47.62 75.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.491 ' CB ' ' HA3' ' A' ' 74' ' ' GLY . 1.2 p -55.91 -50.2 71.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.029 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -11.73 61.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.28 -49.73 53.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.0 -67.6 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 69' ' ' SER . 0.2 OUTLIER -132.83 -75.64 0.49 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.591 1.182 . . . . 0.0 110.995 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.491 ' HA3' ' CB ' ' A' ' 69' ' ' SER . . . 61.06 33.42 83.99 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -129.86 94.65 30.95 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.462 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.6 Cg_endo -74.98 173.74 13.99 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.789 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.489 ' H ' ' ND2' ' A' ' 77' ' ' ASN . 2.4 m-80 -49.93 111.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 109.245 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.43 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -71.15 86.05 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.474 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 24.3 mmt180 -100.59 -175.93 3.05 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.589 1.181 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -65.75 -43.68 88.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.29 -10.64 60.19 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.528 1.142 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.474 ' HB3' ' O ' ' A' ' 79' ' ' ARG . 1.2 t80 -80.52 -50.43 10.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.411 0.713 . . . . 0.0 111.089 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -65.9 -54.08 31.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.964 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -70.71 -16.14 62.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -78.11 -59.45 2.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.472 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.41 -26.26 63.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.554 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -87.1 -22.54 25.33 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.37 -21.73 61.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.55 ' HB ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -100.92 -41.57 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.362 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.429 ' N ' HD11 ' A' ' 89' ' ' ILE . 6.1 mm-40 -77.74 -26.91 50.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.389 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.554 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 0.4 OUTLIER -133.53 66.6 1.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 109.291 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.6 p30 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.593 1.183 . . . . 0.0 109.306 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.55 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 4.0 p90 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.47 0.176 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.2 179.44 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.476 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 2.4 t -52.21 149.3 5.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 108.296 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.08 2.39 90.58 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.513 1.133 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -92.81 136.29 33.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.647 0.851 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.451 ' CD2' ' O ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -99.79 137.22 38.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.477 ' CG2' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -154.04 177.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.224 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -93.1 116.18 28.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.489 ' CB ' ' CD1' ' A' ' 63' ' ' LEU . . . -102.63 125.32 49.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 2.6 tttm -108.69 142.76 38.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.487 ' O ' ' O ' ' A' ' 23' ' ' TYR . 3.0 ttp -130.19 154.02 47.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -56.76 124.76 19.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.59 -19.05 34.69 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.726 ' CE2' ' CD2' ' A' ' 26' ' ' TRP . 2.1 t80 -115.99 134.54 22.73 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 169.99 21.39 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.026 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -45.68 121.04 2.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.554 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.726 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -124.3 145.14 47.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.711 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.5 Cg_endo -74.89 106.32 2.25 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.442 1.759 . . . . 0.0 111.061 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.515 ' CB ' ' HA ' ' A' ' 49' ' ' PHE . . . -128.34 157.9 39.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 5.7 ptt180 -99.27 150.99 21.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.527 HD13 ' CE2' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -78.72 145.18 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.222 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.428 ' N ' HD11 ' A' ' 30' ' ' ILE . 1.0 OUTLIER -150.99 147.11 26.74 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -106.05 163.09 13.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.369 1.043 . . . . 0.0 110.283 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.73 134.72 75.25 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.999 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 163.8 34.52 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.514 1.797 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -144.04 31.41 1.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.399 1.062 . . . . 0.0 110.375 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.35 -62.89 1.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.05 -56.06 26.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.9 m -137.77 177.17 5.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.03 99.16 8.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.27 -176.74 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.998 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.5 p -117.41 134.48 54.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.66 123.38 28.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.6 p30 171.22 -33.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.51 168.94 10.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.603 1.189 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.527 ' CE2' HD13 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -122.17 144.61 48.84 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.395 1.059 . . . . 0.0 111.005 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.63 140.93 31.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.1 t -137.54 132.1 44.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.603 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -109.46 107.46 17.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.042 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.515 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 5.8 m-85 -76.52 119.39 20.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 29' ' ' ARG . 49.0 m-85 -72.8 -31.49 64.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.431 ' HA3' ' NE1' ' A' ' 26' ' ' TRP . . . -59.33 -56.99 22.06 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 111.072 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.3 p -87.79 -23.12 24.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 110.373 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 49' ' ' PHE . 8.4 t-160 72.19 40.21 0.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.405 1.066 . . . . 0.0 109.65 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -133.75 155.45 49.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.426 1.079 . . . . 0.0 110.23 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.603 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 2.3 m -97.48 116.03 28.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.395 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.58 150.19 33.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.618 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 41.0 p90 -86.4 109.66 19.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 0.0 111.025 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.5 mt -134.46 176.75 8.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.162 . . . . 0.0 109.275 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.08 -162.57 12.38 Favored Glycine 0 CA--C 1.528 0.904 0 O-C-N 124.614 1.197 . . . . 0.0 111.067 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.416 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -75.01 -33.12 4.8 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.419 1.747 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -38.26 87.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.05 -10.22 59.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.489 ' CD1' ' CB ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -113.98 116.63 29.52 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.407 1.067 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.414 ' HB2' ' NE2' ' A' ' 25' ' ' HIS . 1.5 m-85 -122.3 148.86 53.44 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 167.57 26.75 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.505 1.792 . . . . 0.0 110.962 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.561 ' CE2' ' HD2' ' A' ' 70' ' ' LYS . 8.8 t80 -70.66 -38.09 73.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.169 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.0 -50.23 61.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.563 1.164 . . . . 0.0 110.264 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 71' ' ' GLU . 1.4 mt-10 -65.9 -47.92 73.19 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 74' ' ' GLY . 0.3 OUTLIER -51.99 -53.1 45.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.563 1.164 . . . . 0.0 109.943 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.561 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -62.34 -23.4 66.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 4.1 tt0 -60.84 -44.05 97.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.44 -66.7 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 3.0 p90 -133.09 -52.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 111.037 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 69.72 1.59 31.94 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.531 1.145 . . . . 0.0 111.087 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -133.13 98.22 15.84 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.474 0.749 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.47 11.19 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.059 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.639 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 1.4 m-80 -48.34 117.07 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.612 1.195 . . . . 0.0 109.221 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.673 ' CD ' ' CZ ' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -73.33 75.82 1.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.592 1.182 . . . . 0.0 109.235 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.489 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 13.1 mmt180 -90.75 -173.67 3.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -66.58 -63.4 1.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -61.79 -11.69 31.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.107 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.673 ' CZ ' ' CD ' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -78.52 -38.81 39.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.594 0.82 . . . . 0.0 111.057 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.3 t -74.24 -58.13 3.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.575 1.172 . . . . 0.0 110.066 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 88' ' ' GLU . 4.8 pt-20 -63.64 -30.88 71.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.59 1.181 . . . . 0.0 110.341 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.77 -53.7 18.49 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.578 1.174 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.527 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -61.18 -28.18 68.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.759 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.561 ' CD1' ' ND2' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -87.03 -21.55 26.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 107.921 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' GLU . 5.2 mt-10 -70.19 -27.09 64.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.467 ' HB ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -95.21 -43.94 13.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.436 ' N ' HD11 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -73.58 -30.99 63.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.343 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.561 ' ND2' ' CD1' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -133.88 69.33 1.47 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.7 p30 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.56 1.163 . . . . 0.0 109.365 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.541 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 5.0 p90 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.503 0.192 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 14' ' ' ASP . 2.9 mtpt -128.62 173.43 10.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.476 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 0.6 OUTLIER -46.95 141.27 4.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 108.276 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.02 -2.71 88.15 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 7.9 t70 -88.04 141.15 28.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 0.732 . . . . 0.0 109.39 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -103.3 141.51 35.79 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 0.0 109.254 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.426 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -155.25 178.29 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -91.88 116.12 28.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.396 1.06 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.612 ' CB ' ' CD1' ' A' ' 63' ' ' LEU . . . -112.36 131.27 55.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.427 ' HB3' ' ND1' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -120.24 155.39 33.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.35 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.55 164.46 26.58 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -57.03 118.23 4.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.378 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.0 -18.88 29.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.438 1.086 . . . . 0.0 111.041 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -103.03 132.44 21.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.599 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -75.04 154.59 42.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.489 ' CE1' ' HB2' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -42.92 111.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.638 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.624 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -114.75 153.61 46.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 107.948 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 103.61 1.76 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.55 1.816 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.98 149.71 45.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -92.68 160.51 14.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.58 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -86.65 145.69 7.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.391 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.44 ' N ' HD12 ' A' ' 30' ' ' ILE . 1.0 OUTLIER -156.49 151.23 25.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.155 . . . . 0.0 109.329 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.444 ' O ' ' NE2' ' A' ' 46' ' ' GLN . 1.4 tt0 -90.19 143.15 27.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.419 ' SD ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -73.23 145.22 85.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 111.003 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 165.1 31.98 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.39 1.732 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -139.12 26.59 2.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.2 -48.31 2.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.13 -47.8 33.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.4 m -143.11 177.27 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.338 1.024 . . . . 0.0 109.316 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.05 157.23 17.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 p -92.96 165.32 12.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.03 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 57.0 p -120.21 -171.9 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.75 133.99 54.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.418 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 3.4 p-10 40.54 82.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.373 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.419 ' O ' ' SD ' ' A' ' 33' ' ' MET . 14.7 tttp -144.91 128.23 16.83 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.58 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -134.56 152.35 51.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 32' ' ' GLU . 5.7 tt0 -91.39 141.54 28.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.174 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.16 146.01 29.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.281 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.592 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -118.21 107.37 13.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 111.064 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.45 ' CE1' ' HB1' ' A' ' 18' ' ' ALA . 3.4 m-85 -77.65 127.97 33.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.562 1.164 . . . . 0.0 111.057 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 20.1 m-85 -81.27 -57.2 3.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.48 -48.49 2.99 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.18 -30.31 16.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.747 . . . . 0.0 110.366 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 42.9 t60 74.41 38.69 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.611 1.194 . . . . 0.0 109.593 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -131.57 149.17 52.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.259 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.592 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 2.8 m -94.49 112.77 24.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.433 1.083 . . . . 0.0 110.384 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -116.73 147.68 41.79 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.599 1.187 . . . . 0.0 109.285 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 5.1 p90 -84.53 121.96 28.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.437 ' HB3' ' CB ' ' A' ' 62' ' ' ASP . 82.9 mt -140.91 174.81 10.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.17 . . . . 0.0 109.242 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -116.38 -159.39 11.74 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -38.72 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -62.37 -42.87 99.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.615 1.197 . . . . 0.0 109.304 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.437 ' CB ' ' HB3' ' A' ' 58' ' ' LEU . 1.9 m-20 -63.56 -24.32 67.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.612 ' CD1' ' CB ' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -98.01 145.46 26.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.391 1.057 . . . . 0.0 109.312 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.489 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -137.98 138.84 24.4 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 110.973 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.409 ' O ' ' OG ' ' A' ' 69' ' ' SER . 17.9 Cg_endo -75.11 173.95 13.62 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.438 1.757 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.44 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -80.93 -31.44 35.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.901 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 2.5 tt0 -71.25 -43.94 66.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -75.53 -48.17 23.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.579 1.174 . . . . 0.0 110.199 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 74' ' ' GLY . 87.4 p -55.24 -47.16 75.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -69.75 -23.81 63.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 67' ' ' GLU . 8.9 tt0 -59.69 -43.96 93.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.234 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -93.74 -67.81 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 109.348 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -132.64 -66.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 72.99 0.61 52.74 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.587 1.18 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -128.15 95.37 33.99 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 174.47 12.74 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.462 1.77 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.597 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 4.5 m-80 -49.57 133.01 21.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.548 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -84.27 84.55 7.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.492 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 9.7 mmt-85 -96.57 -174.44 3.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.347 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -68.79 -50.67 48.35 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.445 1.091 . . . . 0.0 109.257 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -71.04 -7.2 62.03 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.417 1.073 . . . . 0.0 110.989 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.624 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 2.0 t80 -82.97 -46.01 13.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.763 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.6 OUTLIER -66.96 -54.53 21.02 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 88' ' ' GLU . 6.5 pt-20 -69.08 -31.86 70.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 110.318 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.23 -52.44 36.25 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.502 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -62.36 -28.16 69.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 0.782 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.526 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -86.28 -20.75 27.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 108.017 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.9 OUTLIER -72.39 -25.81 61.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.565 ' HB ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -97.55 -41.33 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.433 ' N ' HD12 ' A' ' 89' ' ' ILE . 6.3 mt-10 -76.78 -31.31 56.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.539 ' ND2' ' N ' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -133.4 72.34 1.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.377 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.251 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.547 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 8.4 p90 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.532 0.206 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 12' ' ' CYS . 0.4 OUTLIER -139.51 -179.91 6.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.422 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 5.6 t -41.35 146.41 0.21 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.123 . . . . 0.0 108.28 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.52 -1.06 88.45 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.558 1.161 . . . . 0.0 111.032 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -88.07 131.03 34.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 0.753 . . . . 0.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 16' ' ' VAL . 0.4 OUTLIER -100.86 135.82 41.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.471 ' CG2' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -157.01 178.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -91.7 117.97 30.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.27 138.92 31.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.557 1.161 . . . . 0.0 109.22 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 8.0 tptt -132.35 119.53 20.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.569 1.168 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.5 ttt -134.42 168.13 19.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -57.14 136.46 56.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.7 9.27 12.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.604 ' CE1' ' HB2' ' A' ' 26' ' ' TRP . 16.4 t80 -128.47 114.62 19.64 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.478 0.752 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.579 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -75.01 156.44 42.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.537 ' CE1' ' HB2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -46.25 116.4 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.337 1.023 . . . . 0.0 109.584 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.615 ' CZ2' ' HB2' ' A' ' 82' ' ' PHE . 0.7 OUTLIER -132.29 159.04 73.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.574 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -74.92 102.73 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.477 1.777 . . . . 0.0 111.008 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.44 148.8 44.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.551 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 14.3 ttt180 -101.56 138.19 38.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.356 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.48 HD12 ' CD1' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -65.49 149.11 11.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.376 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -150.99 153.49 35.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 109.255 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.45 ' O ' ' NE2' ' A' ' 46' ' ' GLN . 9.8 tt0 -107.35 167.52 9.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.537 1.148 . . . . 0.0 110.361 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.07 137.44 72.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.09 167.53 26.76 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.43 1.753 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -146.07 29.52 1.08 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.49 1.119 . . . . 0.0 110.243 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.16 -57.46 2.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.413 1.07 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.8 -58.49 4.94 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.8 m -136.16 177.16 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 109.358 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.58 76.6 1.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.35 165.79 0.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.3 p -92.09 125.22 36.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.452 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.54 124.01 29.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.2 p30 169.78 -32.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 109.239 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -108.77 177.05 4.89 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.48 ' CD1' HD12 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -117.25 152.24 35.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.979 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 31' ' ' ASP . 1.3 tt0 -94.86 135.86 35.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.407 1.067 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.484 HG11 ' CZ ' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -119.74 139.48 46.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.505 1.128 . . . . 0.0 109.377 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.22 103.12 6.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.484 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 3.5 m-85 -76.81 121.86 23.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 29' ' ' ARG . 3.0 m-85 -77.22 -59.41 2.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.31 -56.56 2.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.4 p -80.69 -29.52 36.51 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 0.773 . . . . 0.0 110.4 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 74.44 38.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.533 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.04 179.08 4.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.78 161.79 36.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -174.23 179.53 1.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.581 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 42.6 p90 -111.96 105.39 13.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 111.065 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.451 ' HB3' ' CB ' ' A' ' 62' ' ' ASP . 71.4 mt -123.17 177.44 5.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.365 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.2 -157.56 10.6 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.415 1.072 . . . . 0.0 111.054 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -75.05 -43.07 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.95 -43.21 86.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.451 ' CB ' ' HB3' ' A' ' 58' ' ' LEU . 1.7 m-20 -64.81 -12.03 43.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -112.72 116.66 30.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.499 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -110.87 138.36 21.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.86 170.06 21.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.477 1.777 . . . . 0.0 110.977 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.581 ' CE2' ' HD2' ' A' ' 70' ' ' LYS . 17.3 t80 -82.17 -40.24 22.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 111.065 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.9 -51.92 53.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 110.26 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.21 -47.0 69.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.461 ' HB2' ' CA ' ' A' ' 74' ' ' GLY . 19.7 p -54.9 -50.44 68.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.073 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.581 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -68.94 -15.92 63.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -44.18 74.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -106.38 -68.13 0.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' SER . 8.4 m-85 -133.06 -85.56 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 111.054 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.461 ' CA ' ' HB2' ' A' ' 69' ' ' SER . . . 72.08 18.86 78.13 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.077 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.57 93.75 47.72 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.568 0.805 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.497 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.3 Cg_endo -74.95 173.94 13.63 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.442 1.759 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.496 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 5.0 m-80 -49.27 125.83 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.502 ' HD3' ' CD1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -81.26 86.41 6.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.411 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.519 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 22.5 mmt180 -99.93 -174.76 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 110.279 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -68.26 -47.68 67.08 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.417 1.073 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.64 -7.36 69.06 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.615 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 1.8 t80 -82.39 -47.51 12.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 0.731 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 47.3 t -66.99 -53.48 31.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.441 1.088 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 88' ' ' GLU . 5.7 pt-20 -69.29 -31.39 69.85 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.34 -54.96 20.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 0.0 111.083 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.535 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -59.65 -28.35 67.17 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.41 0.712 . . . . 0.0 109.354 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.527 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -86.24 -21.37 27.45 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.4 OUTLIER -72.14 -24.23 61.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.517 ' C ' ' CD1' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -99.74 -43.68 11.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.403 ' N ' HD12 ' A' ' 89' ' ' ILE . 10.3 mm-40 -74.32 -30.17 61.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.533 ' ND2' ' N ' ' A' ' 91' ' ' ASN . 0.4 OUTLIER -132.96 69.9 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.2 p30 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.6 p90 . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.44 0.162 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -136.41 -179.75 5.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 11' ' ' LYS . 29.9 p -40.73 145.71 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 108.327 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.09 -1.24 86.51 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.92 135.34 38.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 0.785 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.443 HD13 ' N ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -111.87 133.97 53.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.496 ' CG1' ' HG ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -164.2 178.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.505 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 3.0 m-85 -93.39 108.82 20.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.478 ' CB ' ' CD1' ' A' ' 63' ' ' LEU . . . -89.44 144.63 25.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.482 ' HD3' ' CG ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -115.53 136.93 52.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.469 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -126.26 150.6 48.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 110.98 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.59 124.58 17.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.396 1.06 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.2 -19.23 28.02 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.611 ' OH ' ' CZ2' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -113.71 131.82 22.88 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 110.994 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 175.34 11.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.505 ' CD2' ' HB2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -43.74 121.18 2.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.606 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.692 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.5 OUTLIER -130.4 144.69 54.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.692 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -75.07 108.22 2.66 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.553 1.817 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.489 ' CB ' ' HA ' ' A' ' 49' ' ' PHE . . . -133.21 158.97 41.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -102.25 160.37 14.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.585 ' CD1' ' CE1' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -88.24 149.8 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -158.01 150.17 22.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.76 148.1 25.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.71 113.52 23.63 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 111.002 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.88 12.02 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.431 1.753 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -139.26 29.68 2.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.337 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.19 -57.11 2.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.235 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.28 -52.62 45.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 m -139.09 177.06 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.7 128.91 42.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.1 p -104.57 176.95 4.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.937 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.9 p -120.07 -178.72 3.73 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.521 1.138 . . . . 0.0 110.348 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -93.19 179.75 5.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.093 . . . . 0.0 109.227 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.1 p30 40.46 67.33 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.41 141.53 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.367 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.585 ' CE1' ' CD1' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -125.68 150.0 48.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.947 -179.896 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 31' ' ' ASP . 24.5 tt0 -97.36 133.97 41.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.3 t -126.74 134.2 66.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.571 ' CE1' ' HB ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -108.25 104.35 13.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.489 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 2.6 m-85 -74.45 115.69 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -80.8 -9.82 59.78 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.579 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . -76.2 -57.06 4.12 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.557 1.161 . . . . 0.0 110.963 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 57.6 p -86.54 -14.77 42.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.43 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.8 t60 74.29 37.44 0.59 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.632 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -141.52 160.13 40.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.571 ' HB ' ' CE1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -107.31 135.4 48.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.499 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.97 162.45 30.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.505 ' CG ' ' O ' ' A' ' 57' ' ' PHE . 6.4 p90 -81.36 126.57 31.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.179 . . . . 0.0 111.069 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.423 ' HB3' ' CB ' ' A' ' 62' ' ' ASP . 87.7 mt -152.2 178.23 9.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.355 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.88 -154.7 8.35 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.391 1.057 . . . . 0.0 111.032 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -41.13 0.7 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.382 1.727 . . . . 0.0 111.02 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.3 tptt -57.94 -48.47 79.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.423 ' CB ' ' HB3' ' A' ' 58' ' ' LEU . 11.8 m-20 -56.13 -30.72 62.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.603 1.189 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.496 ' HG ' ' CG1' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -91.62 117.58 29.86 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.432 ' O ' HG12 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -123.45 137.61 28.78 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.972 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.485 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 18.2 Cg_endo -75.04 169.86 21.68 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.45 1.763 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.524 ' CZ ' ' HD2' ' A' ' 70' ' ' LYS . 6.0 t80 -73.26 -36.19 66.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.7 -48.7 74.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.157 . . . . 0.0 110.321 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.25 -48.13 37.38 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.576 1.172 . . . . 0.0 110.334 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 74' ' ' GLY . 3.2 t -52.07 -51.4 57.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.524 ' HD2' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -65.64 -27.16 68.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -56.31 -41.49 76.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.613 ' HG3' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -102.93 -59.59 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.239 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.613 ' CD2' ' HG3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -127.71 -76.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 82.44 -3.32 82.48 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.65 97.66 15.57 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.763 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.445 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.2 Cg_endo -75.07 175.33 11.39 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.478 1.778 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.659 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 0.9 OUTLIER -48.91 118.95 2.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.589 ' HG3' ' CE1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -72.9 75.85 1.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.085 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.421 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 7.4 mmm180 -96.49 -176.01 3.5 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.41 1.068 . . . . 0.0 110.346 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -64.77 -73.73 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.599 1.187 . . . . 0.0 109.352 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.02 -17.91 4.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.659 ' CD2' ' O ' ' A' ' 77' ' ' ASN . 0.1 OUTLIER -74.01 -35.2 64.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 110.972 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.551 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 3.7 t -76.47 -57.68 3.72 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 5.3 pt-20 -65.54 -10.22 33.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.76 -64.37 1.68 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.105 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.551 ' CD1' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -58.7 -22.99 58.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.484 ' N ' HD13 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -87.53 -28.15 22.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 107.988 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 0.5 OUTLIER -67.11 -23.43 65.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.367 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.515 ' C ' ' CD1' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -99.26 -43.99 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.404 ' N ' HD11 ' A' ' 89' ' ' ILE . 18.6 mt-10 -70.67 -32.77 70.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.514 ' ND2' ' N ' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -133.3 67.59 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.238 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.6 p30 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.594 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.441 0.162 . . . . 0.0 111.004 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.429 ' HD3' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -150.09 179.01 8.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.429 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 1.7 t -41.63 130.09 3.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 108.274 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.95 -14.37 34.22 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.417 1.073 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.8 144.87 25.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.74 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.42 ' CD2' ' N ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -118.15 140.32 49.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.44 ' CG2' ' HA ' ' A' ' 65' ' ' PRO . 0.4 OUTLIER -155.24 178.76 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.452 ' O ' ' NE2' ' A' ' 25' ' ' HIS . 47.3 m-85 -91.69 115.28 27.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.53 ' CB ' ' CD2' ' A' ' 63' ' ' LEU . . . -107.09 128.47 54.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.554 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -117.94 143.5 46.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -128.48 160.2 33.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -56.87 119.41 6.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.31 -20.0 43.43 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.407 1.067 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.406 ' O ' ' O ' ' A' ' 20' ' ' MET . 6.1 t80 -112.82 132.14 22.43 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.564 0.803 . . . . 0.0 111.083 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.592 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.1 Cg_endo -75.0 156.96 43.01 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.37 1.721 . . . . 0.0 111.001 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.554 ' CD2' ' HB3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -42.91 111.54 0.27 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.595 1.185 . . . . 0.0 109.582 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.624 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -115.45 158.01 42.63 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.49 1.119 . . . . 0.0 107.99 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 103.13 1.68 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.483 1.781 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.86 147.46 46.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.432 1.082 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.563 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 2.7 ttt180 -94.25 160.25 14.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.361 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.574 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -89.86 144.09 9.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.441 ' N ' HD12 ' A' ' 30' ' ' ILE . 3.1 m-20 -155.85 149.51 25.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -105.96 153.69 21.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.209 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.92 116.67 54.44 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.147 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 158.67 41.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -134.35 42.34 2.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.45 -70.59 0.73 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.51 1.131 . . . . 0.0 109.228 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.37 -40.0 70.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.372 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.3 m -143.21 176.45 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.42 1.075 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.05 133.85 51.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.38 170.98 14.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 p -111.27 171.25 7.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.447 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . -104.01 121.89 44.11 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.564 1.165 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 6.9 m-80 -163.49 -43.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.46 178.02 5.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.574 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -119.66 152.43 37.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.604 1.19 . . . . 0.0 111.046 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.413 ' O ' ' O ' ' A' ' 31' ' ' ASP . 17.1 tt0 -89.73 139.53 30.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.4 t -131.7 137.57 54.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.605 1.191 . . . . 0.0 109.347 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.584 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -113.7 109.57 18.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.638 1.211 . . . . 0.0 110.953 -179.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 53' ' ' HIS . 12.7 m-85 -78.93 117.47 20.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 29' ' ' ARG . 44.8 m-85 -71.54 -58.62 3.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.6 -56.44 2.48 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.403 ' CG2' ' OH ' ' A' ' 23' ' ' TYR . 59.7 p -81.72 -31.19 32.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.388 0.699 . . . . 0.0 110.409 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.2 OUTLIER 74.82 38.0 0.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.64 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -130.7 147.7 52.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 110.367 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.584 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 1.1 m -96.04 115.87 28.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.162 . . . . 0.0 110.4 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -121.17 156.28 32.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.353 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.492 ' O ' ' CG ' ' A' ' 57' ' ' PHE . 9.1 p90 -83.59 126.82 33.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.613 1.196 . . . . 0.0 111.039 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.441 ' CD2' ' CG ' ' A' ' 62' ' ' ASP . 47.1 mt -150.27 177.53 9.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.075 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.86 -159.67 9.48 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.158 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.4 Cg_endo -74.94 -28.82 8.95 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.557 1.82 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 62' ' ' ASP . 47.6 pttt -69.1 -46.07 68.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.148 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.441 ' CG ' ' CD2' ' A' ' 58' ' ' LEU . 1.4 m-20 -71.35 -6.95 43.87 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.53 ' CD2' ' CB ' ' A' ' 18' ' ' ALA . 13.8 mt -112.52 141.23 46.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.238 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.456 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -140.27 140.33 23.07 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.388 1.055 . . . . 0.0 110.96 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.44 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 18.4 Cg_endo -75.04 170.55 20.16 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.79 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -79.04 -37.78 38.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -53.15 -50.63 64.17 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -48.1 65.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -56.55 -52.63 64.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.971 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -16.1 63.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.611 1.195 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -56.63 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.606 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -98.36 -66.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.347 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.606 ' CZ ' ' HG2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -132.25 -81.89 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.924 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.417 ' HA3' ' CB ' ' A' ' 69' ' ' SER . . . 70.78 8.59 64.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.414 1.071 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.5 94.17 30.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.464 0.743 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.81 12.15 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.401 1.737 . . . . 0.0 110.956 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.583 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 2.0 m-80 -50.05 139.67 13.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.589 ' CD ' ' CE1' ' A' ' 82' ' ' PHE . 1.6 tppt? -92.35 87.9 6.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.463 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 21.3 mmt180 -99.83 -176.21 3.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.413 1.071 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -43.17 78.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.359 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -75.21 -10.3 84.27 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.59 1.181 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.624 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 3.3 t80 -80.91 -42.68 21.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 111.062 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.1 p -75.2 -55.98 5.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.351 1.032 . . . . 0.0 109.974 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -61.22 -31.04 70.82 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.522 1.139 . . . . 0.0 110.219 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -72.11 -63.49 2.96 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.407 1.067 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.512 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -44.81 -26.21 0.38 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 0.748 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.693 ' CD1' ' OD1' ' A' ' 91' ' ' ASN . 12.1 t-105 -88.62 -43.03 11.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 108.025 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' GLY . 1.6 tm-20 -51.19 -20.85 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.552 ' C ' ' CD1' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -100.64 -36.88 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 87' ' ' TRP . 1.5 mt-10 -70.13 -9.78 56.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.693 ' OD1' ' CD1' ' A' ' 87' ' ' TRP . 0.0 OUTLIER -125.75 47.76 2.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.433 ' C ' ' OD1' ' A' ' 92' ' ' ASN . 9.8 p30 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.485 0.183 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.66 159.93 43.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.5 t -45.22 128.49 7.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 108.233 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.44 -20.33 40.07 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.406 1.066 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 15' ' ' LEU . 16.1 t0 -55.86 168.93 0.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -136.1 129.95 32.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.325 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 64' ' ' PHE . 0.3 OUTLIER -151.41 177.53 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.58 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -92.48 114.36 26.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.981 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.58 ' HB1' ' CE1' ' A' ' 49' ' ' PHE . . . -98.21 144.88 27.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HD3' ' CG ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -123.57 138.23 54.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.367 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.441 ' O ' ' O ' ' A' ' 23' ' ' TYR . 1.4 ttt -131.44 151.69 51.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.586 1.179 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.62 123.6 14.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.579 1.175 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.49 -20.36 27.45 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.496 1.122 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.635 ' CE2' ' CD2' ' A' ' 26' ' ' TRP . 2.0 t80 -112.02 133.15 21.72 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.754 . . . . 0.0 111.042 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 175.94 10.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.543 1.812 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -51.11 111.18 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.649 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.663 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -118.77 142.46 31.79 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.516 1.135 . . . . 0.0 108.065 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.663 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.1 Cg_endo -75.06 112.02 3.46 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.495 ' O ' ' CD1' ' A' ' 15' ' ' LEU . . . -125.62 158.03 35.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.445 ' CG ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -98.96 139.98 33.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.342 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.424 ' N ' ' HG2' ' A' ' 29' ' ' ARG . 0.5 OUTLIER -74.98 148.95 7.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 124.634 1.209 . . . . 0.0 109.255 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 46' ' ' GLN . 2.6 m-20 -160.07 153.13 21.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 109.344 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.69 159.53 14.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.23 113.52 22.82 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 110.977 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 172.45 16.34 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.429 1.752 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -144.08 36.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 110.195 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.07 -66.36 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.02 -44.9 87.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.408 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.2 m -143.02 177.07 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.36 129.58 54.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.61 171.82 13.93 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.519 1.137 . . . . 0.0 110.071 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.3 p -115.3 177.3 4.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.46 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.51 130.91 49.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 p30 170.35 -33.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.1 170.91 9.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.47 142.1 47.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.483 ' HG3' ' CG2' ' A' ' 55' ' ' THR . 30.4 tt0 -90.73 114.49 26.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.253 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 48' ' ' PHE . 5.7 t -107.26 149.19 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.375 1.047 . . . . 0.0 109.358 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.411 ' N ' HG12 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -123.77 101.8 7.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 111.118 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.58 ' CE1' ' HB1' ' A' ' 18' ' ' ALA . 3.5 m-30 -70.9 125.14 26.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 111.068 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CE2' ' HB ' ' A' ' 89' ' ' ILE . 15.5 m-85 -74.97 -44.59 47.48 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.454 1.096 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.454 ' HA3' ' NE1' ' A' ' 26' ' ' TRP . . . -47.36 -56.86 7.72 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.44 1.088 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.0 p -85.91 -28.03 24.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 0.799 . . . . 0.0 110.39 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 74.44 38.95 0.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 109.58 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -131.3 155.15 47.68 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.588 1.18 . . . . 0.0 110.346 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.483 ' CG2' ' HG3' ' A' ' 46' ' ' GLN . 1.3 m -94.71 112.75 24.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.37 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.5 137.38 51.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.399 1.062 . . . . 0.0 109.234 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.628 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 44.1 p90 -69.56 108.82 3.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 111.04 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.461 HD13 ' CE1' ' A' ' 49' ' ' PHE . 60.1 mt -132.19 177.54 7.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.82 -160.27 9.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' A' ' 63' ' ' LEU . 17.9 Cg_endo -75.09 -44.63 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.534 1.807 . . . . 0.0 110.976 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -47.1 81.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.64 -19.97 65.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.179 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.515 HD22 ' CB ' ' A' ' 18' ' ' ALA . 15.7 mt -99.34 144.7 28.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.461 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -138.02 143.33 39.18 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 111.048 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 167.1 27.82 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.553 ' CE1' ' HG2' ' A' ' 70' ' ' LYS . 1.9 t80 -83.03 -36.33 25.06 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.569 1.168 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -50.63 63.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -63.79 -47.83 79.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.347 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.475 ' CB ' ' HA3' ' A' ' 74' ' ' GLY . 0.9 OUTLIER -60.31 -49.26 78.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.405 1.066 . . . . 0.0 109.978 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.553 ' HG2' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -70.42 -8.81 53.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.45 -46.62 26.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.232 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt -106.03 -68.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 69' ' ' SER . 9.1 m-85 -132.81 -81.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 111.05 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.475 ' HA3' ' CB ' ' A' ' 69' ' ' SER . . . 67.41 26.95 73.49 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.83 90.82 41.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 0.759 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.405 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.3 Cg_endo -74.86 175.24 11.46 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.576 1.829 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.623 ' O ' ' CE2' ' A' ' 82' ' ' PHE . 29.4 m-80 -49.8 172.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -129.57 90.39 2.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -102.01 -176.12 3.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -69.64 -55.34 10.31 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.2 -7.16 43.32 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.51 1.132 . . . . 0.0 111.048 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.623 ' CE2' ' O ' ' A' ' 77' ' ' ASN . 7.0 t80 -83.65 -47.94 10.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 0.737 . . . . 0.0 111.063 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.19 -53.83 43.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.024 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 88' ' ' GLU . 4.8 pt-20 -63.02 -30.76 71.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 110.247 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.407 ' O ' HG23 ' A' ' 89' ' ' ILE . . . -65.56 -60.84 6.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.504 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -55.84 -28.12 54.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.763 . . . . 0.0 109.28 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.564 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -84.36 -23.95 29.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 108.006 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 84' ' ' GLU . 3.9 mm-40 -70.7 -23.05 62.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.247 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.57 ' HB ' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -100.0 -45.23 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.445 ' N ' HD12 ' A' ' 89' ' ' ILE . 12.6 mt-10 -74.61 -27.48 60.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.402 1.064 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.587 ' N ' HD21 ' A' ' 91' ' ' ASN . 0.3 OUTLIER -134.01 58.98 1.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.404 1.065 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 92' ' ' ASN . 7.9 p30 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.228 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.575 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 6.1 p90 . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.507 0.194 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -136.68 -179.43 5.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.181 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.465 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -41.07 142.82 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 108.275 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.52 2.45 76.27 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.568 1.168 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -102.44 127.98 49.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 0.776 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.488 ' CD2' ' N ' ' A' ' 16' ' ' VAL . 0.2 OUTLIER -108.72 132.06 54.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.488 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -150.27 179.89 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.228 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -91.31 121.2 32.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.421 1.075 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.502 ' CB ' HD11 ' A' ' 63' ' ' LEU . . . -127.14 141.49 51.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.217 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.559 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -113.17 158.31 20.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.369 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.418 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -130.29 159.1 37.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.32 118.65 5.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.96 -17.92 43.2 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.562 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 2.7 t80 -110.73 137.25 20.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.574 0.808 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.588 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.1 Cg_endo -75.07 156.86 42.72 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.402 1.738 . . . . 0.0 110.973 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.559 ' CD2' ' HB3' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -42.4 111.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.574 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.596 ' CZ2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -116.7 157.1 46.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 107.989 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 103.82 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.429 1.752 . . . . 0.0 110.964 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 16' ' ' VAL . . . -121.86 142.81 49.87 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.458 1.099 . . . . 0.0 109.239 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.3 ttp85 -98.85 140.51 32.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.339 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.465 ' CG2' ' HA ' ' A' ' 12' ' ' CYS . 0.2 OUTLIER -63.26 145.82 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -158.64 145.79 17.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -95.49 158.72 15.33 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.97 113.48 23.62 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 133.22 16.41 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.56 1.821 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -100.8 38.23 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.32 -56.55 2.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.11 -42.34 80.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 m -143.24 171.97 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.29 64.51 0.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.347 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.17 177.8 0.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.574 1.171 . . . . 0.0 109.966 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.5 m -113.63 171.37 7.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.43 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -103.65 127.75 51.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.249 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.6 p30 167.25 -32.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.96 173.02 7.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.587 ' CE2' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -118.8 134.97 54.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.504 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 33.7 tt0 -75.05 115.37 14.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.536 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 14.6 p -94.78 136.95 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.448 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -113.94 97.73 6.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.041 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -78.92 122.01 25.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 6.8 m-85 -79.69 -56.53 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -40.13 -55.79 2.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.5 p -78.75 -28.96 44.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 0.804 . . . . 0.0 110.373 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 74.31 37.48 0.58 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.54 1.15 . . . . 0.0 109.582 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -137.49 163.86 30.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.559 1.162 . . . . 0.0 110.247 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.448 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -105.24 159.44 15.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.471 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.407 ' HB2' ' CG1' ' A' ' 47' ' ' VAL . . . -155.61 -179.12 7.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -119.83 101.3 7.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.46 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 50.3 mt -129.02 179.64 5.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.2 -167.78 12.78 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -18.62 18.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 0.0 110.997 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -72.66 -25.46 61.28 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -97.28 2.15 50.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.587 HD21 ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -111.24 137.82 48.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -140.14 131.67 14.38 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.489 1.118 . . . . 0.0 110.922 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 169.8 21.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.547 1.814 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -63.66 -36.2 83.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -62.27 -50.65 70.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.261 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.508 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 0.6 OUTLIER -68.26 -49.14 62.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.528 ' O ' ' N ' ' A' ' 74' ' ' GLY . 1.4 p -55.76 -53.39 57.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.944 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -18.83 64.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 9.5 tt0 -62.88 -49.97 72.75 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 110.257 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.59 -68.6 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.535 ' CG ' ' N ' ' A' ' 74' ' ' GLY . 4.6 p90 -133.89 -52.92 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.535 ' N ' ' CG ' ' A' ' 73' ' ' PHE . . . 60.5 9.55 13.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.438 1.086 . . . . 0.0 111.039 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -133.83 94.27 19.13 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.54 0.788 . . . . 0.0 109.3 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.401 ' HG3' ' O ' ' A' ' 25' ' ' HIS . 18.1 Cg_endo -75.08 174.88 12.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.463 1.77 . . . . 0.0 110.945 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.497 ' H ' ' ND2' ' A' ' 77' ' ' ASN . 3.8 m-80 -49.06 129.65 17.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.437 ' HG2' ' CE1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -83.1 89.04 6.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.512 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 20.9 mmt85 -100.89 -175.25 2.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.38 -48.27 65.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.33 -7.19 67.32 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.578 1.174 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.596 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 2.2 t80 -82.34 -47.71 12.02 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.554 0.797 . . . . 0.0 111.064 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.4 OUTLIER -66.29 -53.66 34.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.921 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -70.4 -26.65 63.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.47 -55.14 9.04 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.496 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -60.01 -27.62 67.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.572 0.807 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.527 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -86.28 -21.72 27.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 108.006 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.59 -24.57 61.11 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.426 1.079 . . . . 0.0 110.277 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.565 ' HB ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -98.67 -42.54 11.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.429 1.081 . . . . 0.0 109.244 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.403 ' N ' HD13 ' A' ' 89' ' ' ILE . 3.3 mt-10 -76.99 -29.5 55.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.272 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.541 ' N ' HD21 ' A' ' 91' ' ' ASN . 0.4 OUTLIER -133.26 71.59 1.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.4 p30 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.401 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 7.0 p90 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.493 0.187 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.88 176.4 8.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.7 t -43.48 134.15 4.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 108.257 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.54 -3.03 78.39 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.587 1.179 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -81.97 140.6 33.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 28' ' ' ALA . 1.5 tm? -109.63 142.16 41.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.469 ' CG2' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -162.27 177.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.579 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 23.7 m-85 -93.06 112.04 23.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.43 ' CA ' HD23 ' A' ' 63' ' ' LEU . . . -98.94 132.06 44.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 8.2 tttt -108.68 145.04 35.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.447 ' O ' ' O ' ' A' ' 23' ' ' TYR . 2.4 ttt -129.36 153.74 47.58 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.619 1.199 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -56.22 121.92 10.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.46 -19.97 29.39 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.609 ' OH ' ' CZ2' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -111.28 134.59 21.08 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.593 0.819 . . . . 0.0 111.024 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.405 ' CB ' HD21 ' A' ' 77' ' ' ASN . 18.0 Cg_endo -74.96 169.65 22.16 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 110.973 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.579 ' CD2' ' HB3' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -44.64 116.17 1.01 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.623 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.72 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.6 OUTLIER -120.43 145.22 40.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.72 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -74.99 108.84 2.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.452 1.764 . . . . 0.0 110.977 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.516 ' CB ' ' HA ' ' A' ' 49' ' ' PHE . . . -129.88 162.44 28.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.497 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 12.1 ptm180 -103.91 156.46 17.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.591 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -82.54 149.69 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.427 ' N ' HD13 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -156.67 150.67 24.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -99.15 152.69 19.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.71 114.08 30.78 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 175.11 11.66 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.513 1.796 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -144.57 31.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.36 -71.43 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.365 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.46 -50.45 67.69 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.401 ' CG2' ' N ' ' A' ' 39' ' ' LYS . 9.0 p -143.02 170.57 10.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.401 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -109.03 96.59 6.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.89 -176.06 1.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.063 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.9 p -120.03 124.16 45.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.388 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 43' ' ' ASN . . . -49.32 175.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 42' ' ' ALA . 10.2 m-20 80.48 38.15 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.76 160.32 4.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.591 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -125.88 151.97 46.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 111.017 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.44 ' HG3' ' CG2' ' A' ' 55' ' ' THR . 36.5 tt0 -92.1 129.13 38.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 110.249 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.47 ' CG2' HD11 ' A' ' 63' ' ' LEU . 1.3 t -126.22 135.14 64.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.379 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.599 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.0 OUTLIER -112.33 105.53 13.84 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.606 1.191 . . . . 0.0 110.957 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.516 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 3.8 m-85 -76.0 118.94 19.29 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.497 ' CE2' ' HB3' ' A' ' 29' ' ' ARG . 51.8 m-85 -71.29 -34.28 70.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.599 1.187 . . . . 0.0 111.073 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.436 ' HA3' ' NE1' ' A' ' 26' ' ' TRP . . . -57.31 -56.94 22.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 42.7 p -87.23 -20.18 27.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 49' ' ' PHE . 27.6 t-80 67.98 40.35 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.621 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.18 158.53 43.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.577 1.173 . . . . 0.0 110.338 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.599 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 1.8 m -99.08 115.81 29.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.464 1.102 . . . . 0.0 110.483 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.94 141.72 47.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -75.42 107.64 7.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.3 mt -137.96 172.22 13.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.4 1.062 . . . . 0.0 109.283 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.04 -157.7 9.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.445 1.09 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -28.2 9.25 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.554 1.818 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -72.21 -18.07 61.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.2 10.79 33.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.226 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.47 HD11 ' CG2' ' A' ' 47' ' ' VAL . 6.8 mt -135.85 118.58 16.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.84 146.84 36.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 111.05 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 171.05 19.07 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.388 1.73 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -82.12 -42.1 19.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.18 -51.07 57.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -44.6 80.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.262 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -56.68 -51.55 68.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 110.042 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.463 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -70.54 -12.05 61.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -68.95 -49.69 55.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.14 -67.51 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' SER . 1.3 m-85 -132.37 -82.77 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.03 8.84 79.31 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.573 1.17 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -115.7 96.33 46.13 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.426 0.721 . . . . 0.0 109.265 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 174.71 12.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 110.998 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.634 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 4.1 m-80 -49.44 147.44 3.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.43 85.3 6.13 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.399 1.062 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.9 mmt-85 -99.53 -176.56 3.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.163 . . . . 0.0 110.339 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -69.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -53.86 -17.4 7.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.13 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.634 ' CD2' ' O ' ' A' ' 77' ' ' ASN . 0.6 OUTLIER -75.54 -38.6 59.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 110.993 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.7 -58.29 3.8 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.451 1.094 . . . . 0.0 109.918 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -65.73 -30.31 70.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.428 1.08 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.429 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -67.73 -56.53 10.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.558 1.161 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.513 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.38 -28.79 65.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 0.75 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.54 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -85.39 -21.98 28.59 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -72.04 -24.52 61.55 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.451 HD12 ' N ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -97.69 -43.58 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 109.36 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.451 ' N ' HD12 ' A' ' 89' ' ' ILE . 3.0 mm-40 -75.09 -27.41 59.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.264 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.564 ' ND2' ' N ' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -134.63 69.81 1.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.612 1.195 . . . . 0.0 109.39 179.91 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.482 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 7.7 p90 . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.515 0.198 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.6 178.82 6.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.421 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 15.3 t -45.67 142.76 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 108.337 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.61 2.24 76.34 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.454 1.096 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -96.24 146.89 24.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 0.746 . . . . 0.0 109.257 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.452 ' CD1' ' N ' ' A' ' 16' ' ' VAL . 3.7 tp -122.6 140.81 52.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.508 ' CG1' ' HG ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -161.46 -179.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.474 ' N ' HG11 ' A' ' 16' ' ' VAL . 85.3 m-85 -89.53 119.56 30.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.497 1.123 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.436 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -97.61 155.47 16.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -144.74 124.89 13.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 109.223 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.3 ttp -135.51 166.57 22.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.049 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -55.38 135.06 50.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.82 10.58 19.71 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 111.055 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CE1' ' HB2' ' A' ' 26' ' ' TRP . 14.6 t80 -128.51 115.82 19.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.512 0.772 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.579 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.6 Cg_endo -74.96 157.12 43.13 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.471 ' O ' ' CG ' ' A' ' 76' ' ' PRO . 0.0 OUTLIER -47.41 117.48 1.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.543 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.593 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -134.66 159.32 72.65 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.593 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -74.94 101.51 1.47 Allowed 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.52 1.8 . . . . 0.0 111.011 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.76 139.63 51.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -95.77 139.21 32.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.506 HD12 ' CZ ' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -65.74 147.65 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.78 146.04 25.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -89.92 152.72 21.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.83 119.16 74.73 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 171.04 19.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.431 1.753 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -145.32 30.1 1.14 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.51 -60.44 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.47 -59.41 5.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.358 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.7 m -131.84 177.15 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.05 125.31 50.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.16 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.87 171.4 8.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 110.018 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.9 p -97.39 128.06 43.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.421 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.406 ' O ' ' CB ' ' A' ' 43' ' ' ASN . . . -78.29 124.96 28.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.117 . . . . 0.0 109.266 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 42' ' ' ALA . 5.5 p30 163.34 -29.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.58 177.53 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.506 ' CZ ' HD12 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -122.6 147.35 46.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.357 1.035 . . . . 0.0 110.957 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -94.66 128.98 41.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.345 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.482 ' CG1' ' CZ ' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -102.45 145.11 12.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.527 ' CD2' HG22 ' A' ' 55' ' ' THR . 0.2 OUTLIER -132.67 101.44 5.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 111.154 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.482 ' CZ ' ' CG1' ' A' ' 47' ' ' VAL . 3.7 m-85 -75.21 124.9 27.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.973 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.435 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 2.9 m-85 -78.42 -59.91 2.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.08 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -38.91 -56.3 2.16 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.084 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.8 p -80.85 -30.1 35.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.425 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 74.27 38.69 0.52 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 109.538 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -118.77 169.91 9.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.527 HG22 ' CD2' ' A' ' 48' ' ' PHE . 24.9 m -134.81 146.83 49.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.442 1.088 . . . . 0.0 110.446 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -157.96 -179.8 8.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.407 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 46.7 p90 -106.31 124.57 49.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 110.966 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.441 ' CD1' HG11 ' A' ' 47' ' ' VAL . 43.7 mt -146.4 178.91 7.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -120.77 -156.73 9.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.492 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.3 Cg_endo -75.1 -33.99 4.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.555 1.819 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -57.42 13.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.01 -30.19 14.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.508 ' HG ' ' CG1' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -91.34 141.67 28.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.42 ' O ' HG11 ' A' ' 16' ' ' VAL . 2.5 m-85 -144.2 138.84 15.22 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 111.095 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.462 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 18.1 Cg_endo -75.03 173.98 13.57 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.465 1.771 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -70.65 -39.57 73.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -55.3 -51.74 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.235 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 71' ' ' GLU . 19.7 mt-10 -68.73 -47.65 65.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 74' ' ' GLY . 3.4 m -54.8 -51.88 64.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.081 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -18.56 65.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 0.3 OUTLIER -62.61 -57.33 11.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.192 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.503 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -77.06 -70.09 0.49 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.503 ' CD1' ' HB3' ' A' ' 72' ' ' LYS . 9.6 p90 -131.48 -54.3 1.02 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 68.42 1.35 21.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.89 94.3 28.8 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.529 0.782 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.471 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.6 Cg_endo -74.93 174.42 12.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.771 . . . . 0.0 111.048 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.474 ' H ' ' ND2' ' A' ' 77' ' ' ASN . 4.6 m-80 -48.94 111.3 0.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.583 1.177 . . . . 0.0 109.203 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -69.06 87.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.492 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 25.5 mmt180 -101.14 -175.93 3.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.374 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -67.19 -46.79 72.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.63 -8.97 49.74 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.492 ' HB3' ' O ' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -81.32 -53.43 6.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.992 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 5.4 t -63.4 -54.08 42.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.937 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 4.3 pt-20 -71.16 -15.12 62.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.562 1.164 . . . . 0.0 110.254 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.419 ' O ' HG23 ' A' ' 89' ' ' ILE . . . -77.73 -61.02 2.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.51 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -57.83 -30.6 65.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.765 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.53 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -82.97 -20.92 34.27 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 2.0 mm-40 -72.56 -24.5 61.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.378 1.049 . . . . 0.0 110.33 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.443 HD11 ' N ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -99.52 -46.85 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.443 ' N ' HD11 ' A' ' 89' ' ' ILE . 42.1 mm-40 -71.15 -29.32 65.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.589 1.18 . . . . 0.0 110.362 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.572 ' N ' HD21 ' A' ' 91' ' ' ASN . 0.3 OUTLIER -133.94 66.86 1.53 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 92' ' ' ASN . 10.5 p-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.545 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 3.6 p90 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.542 0.211 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.19 175.21 10.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.471 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 2.0 t -45.05 123.02 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 108.301 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.28 8.5 46.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -101.23 134.7 43.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -97.36 137.12 36.82 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.451 1.094 . . . . 0.0 109.258 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.437 ' N ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -158.19 178.13 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.566 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -91.89 132.49 36.44 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.632 ' CB ' ' CD1' ' A' ' 63' ' ' LEU . . . -129.98 130.66 45.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.577 ' HB3' ' CG ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -117.64 152.12 35.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.417 ' O ' ' O ' ' A' ' 23' ' ' TYR . 8.4 ttt -132.2 156.22 46.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.79 119.48 6.26 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.31 -20.49 45.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.417 ' O ' ' O ' ' A' ' 20' ' ' MET . 4.3 t80 -114.05 135.92 22.14 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.441 0.73 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.46 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -75.0 155.17 42.88 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.524 1.802 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.577 ' CG ' ' HB3' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -41.13 116.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.598 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.602 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -120.03 158.29 50.68 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.48 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -75.03 107.32 2.46 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.545 1.813 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 16' ' ' VAL . . . -124.14 156.28 36.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.386 1.054 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.438 ' CG ' ' HB3' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -107.84 148.06 30.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 110.32 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.572 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -71.24 144.51 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.206 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.42 ' N ' HD12 ' A' ' 30' ' ' ILE . 4.5 m-20 -151.47 145.53 25.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -89.91 160.81 16.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.234 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -82.9 121.1 77.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 156.07 43.17 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.549 1.815 . . . . 0.0 111.017 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -121.3 25.68 9.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.12 -77.97 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.83 -31.17 37.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -143.47 177.11 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.443 1.089 . . . . 0.0 109.208 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.481 ' CG ' ' N ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -74.67 -148.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.481 ' N ' ' CG ' ' A' ' 39' ' ' LYS . 34.9 p -145.13 130.72 18.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.044 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.4 m -117.06 167.22 11.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 110.352 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.459 ' O ' ' ND2' ' A' ' 43' ' ' ASN . . . -104.57 178.12 4.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER 38.97 56.73 1.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 1.073 . . . . 0.0 109.377 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.53 137.94 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.572 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -129.01 149.25 50.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.966 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.501 ' OE1' ' CG2' ' A' ' 55' ' ' THR . 0.0 OUTLIER -82.77 135.14 35.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.581 1.175 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.0 t -136.6 125.72 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.409 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.438 ' HB3' ' CG ' ' A' ' 29' ' ' ARG . 6.4 t80 -105.79 133.94 49.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 110.963 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -97.88 126.94 43.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.553 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 9.5 m-85 -78.46 -60.17 2.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.624 1.203 . . . . 0.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -40.05 -55.23 2.94 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.0 p -80.23 -31.52 38.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.398 0.705 . . . . 0.0 110.47 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 73.29 39.71 0.58 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.574 1.171 . . . . 0.0 109.61 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -133.25 145.21 50.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.227 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.501 ' CG2' ' OE1' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -93.87 121.54 35.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.383 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.33 153.2 47.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.576 ' CG ' ' O ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -87.0 122.86 31.43 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.426 ' HB3' ' CB ' ' A' ' 62' ' ' ASP . 82.0 mt -140.87 177.71 7.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.189 . . . . 0.0 109.305 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -120.26 -160.83 11.31 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.3 Cg_endo -75.09 -34.75 3.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.443 1.76 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.84 -42.61 97.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.085 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.426 ' CB ' ' HB3' ' A' ' 58' ' ' LEU . 2.5 m-20 -64.46 -22.43 66.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.176 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.632 ' CD1' ' CB ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -100.66 145.53 28.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.453 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -140.67 146.28 43.87 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.952 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.408 ' O ' ' HB3' ' A' ' 69' ' ' SER . 18.3 Cg_endo -75.03 158.38 42.11 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.454 1.765 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.572 ' CE2' ' HD2' ' A' ' 70' ' ' LYS . 8.0 t80 -79.53 -37.97 35.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -54.25 -51.28 65.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -68.85 -39.18 80.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.45 ' HB2' ' CA ' ' A' ' 74' ' ' GLY . 7.0 p -59.44 -51.04 71.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.572 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 1.8 pttm -71.05 -13.99 62.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -69.67 -44.25 70.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.359 1.037 . . . . 0.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -106.43 -68.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.388 1.055 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' SER . 0.6 OUTLIER -132.93 -77.33 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.404 1.065 . . . . 0.0 111.003 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.45 ' CA ' ' HB2' ' A' ' 69' ' ' SER . . . 61.84 26.36 66.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.23 94.17 24.21 Favored Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 124.457 0.739 . . . . 0.0 109.258 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 175.28 11.41 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.474 1.776 . . . . 0.0 110.99 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.587 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 3.2 m-80 -49.09 141.3 8.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -92.94 90.27 6.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 19.9 mmt180 -100.95 -175.99 3.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -68.43 -44.87 74.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.249 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.48 -9.9 78.53 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.458 1.099 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.602 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 3.2 t80 -81.65 -44.02 17.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 0.801 . . . . 0.0 110.95 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.6 t -68.67 -56.22 8.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 109.951 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 4.6 pt-20 -69.42 -21.43 63.75 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.29 -58.2 4.02 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.442 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -57.4 -27.21 62.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.552 ' CD1' ' ND2' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -86.87 -23.38 25.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 108.019 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 1.1 mm-40 -70.36 -22.53 62.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.553 ' HB ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -100.48 -44.4 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.381 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.422 ' N ' HD11 ' A' ' 89' ' ' ILE . 4.9 mm-40 -72.45 -30.44 64.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.243 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.552 ' ND2' ' CD1' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -133.88 69.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.5 p30 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.223 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.532 0.206 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.53 159.81 44.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.3 p -43.71 130.28 5.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 108.313 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.24 7.26 60.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.43 1.081 . . . . 0.0 111.004 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -86.56 150.05 24.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.565 0.803 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.24 140.76 49.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.401 HG23 ' CD2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -162.76 176.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.408 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -92.74 112.41 24.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.509 ' CB ' ' CD1' ' A' ' 63' ' ' LEU . . . -104.84 132.93 50.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 12.8 tttt -114.17 141.49 47.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -127.51 156.62 41.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.61 120.26 7.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.86 -17.3 32.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.126 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.445 ' OH ' ' CG2' ' A' ' 52' ' ' THR . 4.1 t80 -106.94 129.05 24.94 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.523 0.778 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.414 ' CB ' ' ND2' ' A' ' 77' ' ' ASN . 18.4 Cg_endo -75.09 157.79 42.22 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.453 1.764 . . . . 0.0 111.053 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.47 ' O ' ' CG ' ' A' ' 76' ' ' PRO . 0.0 OUTLIER -39.42 118.4 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.665 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.623 ' CZ2' ' HB2' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -129.19 155.12 80.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 107.956 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.59 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -74.88 104.12 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.436 1.756 . . . . 0.0 111.071 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.73 149.55 41.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.439 ' HG2' ' N ' ' A' ' 30' ' ' ILE . 15.2 ttm180 -97.51 160.9 14.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.144 . . . . 0.0 110.36 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.471 HG12 ' CE1' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -81.12 142.45 13.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.551 ' OD2' ' CD2' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -152.1 149.29 28.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -104.11 147.89 26.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.217 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -73.59 131.23 82.59 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 111.077 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 170.77 19.69 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 111.078 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -124.29 28.96 6.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.25 -60.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.87 -44.9 94.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.5 m -136.73 177.07 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.54 117.28 34.35 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.607 1.192 . . . . 0.0 109.364 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.1 t -41.22 140.48 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.039 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.1 p -119.91 -171.52 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.349 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.411 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . -89.89 148.65 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.458 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 1.6 p-10 42.12 82.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.223 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.89 117.72 2.98 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.407 1.067 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.626 ' CE1' ' O ' ' A' ' 46' ' ' GLN . 0.3 OUTLIER -122.0 127.54 50.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 111.052 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.626 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 2.3 tt0 -80.17 133.34 36.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.487 ' CG2' ' OH ' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -122.31 136.44 59.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.551 ' CD2' ' OD2' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -110.64 99.23 8.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -73.78 124.85 26.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.105 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.559 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 18.6 m-85 -80.17 -54.0 6.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 111.022 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.51 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . -39.01 -56.15 2.23 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.491 1.119 . . . . 0.0 111.058 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.445 ' CG2' ' OH ' ' A' ' 23' ' ' TYR . 41.7 p -82.41 -26.99 32.28 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.459 0.741 . . . . 0.0 110.381 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.4 t60 73.57 38.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 109.674 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -138.66 161.41 37.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -94.37 164.55 12.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.418 1.073 . . . . 0.0 110.456 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.442 ' N ' ' CG2' ' A' ' 55' ' ' THR . . . -159.89 -179.86 8.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.49 ' CG ' ' O ' ' A' ' 57' ' ' PHE . 28.4 p90 -118.07 109.84 16.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.483 ' HB3' ' CB ' ' A' ' 62' ' ' ASP . 83.8 mt -135.95 179.82 6.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.614 1.197 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.62 -157.17 9.84 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.515 1.134 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -41.52 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -58.72 -45.9 88.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.483 ' CB ' ' HB3' ' A' ' 58' ' ' LEU . 2.3 m-20 -59.32 -15.88 18.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.232 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.592 HD22 ' CE2' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -106.66 137.25 45.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.908 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.451 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -130.67 144.26 52.7 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.406 ' O ' ' HB3' ' A' ' 69' ' ' SER . 18.6 Cg_endo -75.0 155.65 42.92 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.526 1.803 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.612 ' CE2' ' CD ' ' A' ' 70' ' ' LYS . 7.2 t80 -77.84 -37.39 48.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -54.99 -50.62 68.55 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.491 1.119 . . . . 0.0 110.259 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -45.94 72.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 110.209 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.472 ' HB2' ' CA ' ' A' ' 74' ' ' GLY . 1.2 p -58.23 -49.51 76.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.972 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.612 ' CD ' ' CE2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -67.16 -17.78 65.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.132 . . . . 0.0 109.236 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -69.66 -43.76 71.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -106.98 -69.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.363 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 69' ' ' SER . 6.7 m-85 -132.95 -86.05 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.472 ' CA ' ' HB2' ' A' ' 69' ' ' SER . . . 70.22 11.02 66.84 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.387 1.054 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -112.94 94.58 30.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.551 0.794 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.47 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.3 Cg_endo -74.84 175.2 11.49 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.421 1.748 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.519 ' H ' ' ND2' ' A' ' 77' ' ' ASN . 3.0 m-80 -49.29 133.87 19.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.56 ' HD3' ' CE1' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -87.59 90.91 8.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.461 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 10.1 mmt180 -101.36 -175.4 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.248 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.43 -44.06 75.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.62 -8.91 77.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.403 1.065 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.623 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 3.2 t80 -82.25 -47.76 12.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 22.9 t -66.98 -54.11 25.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.64 -30.28 68.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.226 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.66 -57.08 10.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.5 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.23 -27.39 63.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.584 0.814 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.591 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -86.46 -21.93 26.76 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.517 1.136 . . . . 0.0 108.031 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.69 -23.5 61.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 110.365 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.559 ' HB ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -99.63 -41.14 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.356 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.436 ' N ' HD13 ' A' ' 89' ' ' ILE . 2.6 mt-10 -77.65 -28.02 51.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.563 1.165 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.591 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -134.0 58.66 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.0 p30 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.239 -179.931 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.479 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 3.6 p90 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.6 0.238 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 12' ' ' CYS . 4.3 mtpp -134.43 -179.55 5.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.417 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 34.7 t -41.43 144.32 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 108.36 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.23 -0.37 75.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.571 1.169 . . . . 0.0 111.003 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.401 ' OD2' ' HB2' ' A' ' 10' ' ' TYR . 10.6 t0 -93.8 139.52 30.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.395 0.703 . . . . 0.0 109.236 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.94 135.85 53.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.611 1.194 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -154.96 178.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.606 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -91.44 109.78 21.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.48 1.113 . . . . 0.0 111.057 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.502 ' CB ' HD21 ' A' ' 63' ' ' LEU . . . -94.42 137.39 33.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.653 1.221 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -123.75 140.52 52.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.136 . . . . 0.0 109.239 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.458 ' O ' ' O ' ' A' ' 23' ' ' TYR . 2.2 ttt -130.34 155.86 45.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -56.71 126.9 28.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.598 1.186 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.64 -16.06 32.91 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.529 ' CE2' ' CE3' ' A' ' 26' ' ' TRP . 2.7 t80 -115.78 130.23 24.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.446 0.733 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.29 29.49 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.606 ' CD2' ' HB3' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -40.48 130.87 2.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.696 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.714 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.4 OUTLIER -140.25 143.27 32.9 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.714 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.5 Cg_endo -75.02 109.65 2.97 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.411 1.743 . . . . 0.0 111.096 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.409 ' CB ' ' HA ' ' A' ' 49' ' ' PHE . . . -130.02 156.53 44.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.595 1.184 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.473 ' HG2' ' CB ' ' A' ' 48' ' ' PHE . 1.5 ptt180 -97.06 158.31 15.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.467 HG12 ' CD1' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -92.01 144.05 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.432 ' N ' HD12 ' A' ' 30' ' ' ILE . 54.2 m-20 -155.78 149.54 25.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -97.49 152.44 18.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 110.358 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -74.18 113.49 24.06 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 167.81 26.22 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.382 1.727 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -125.98 31.49 5.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 37' ' ' ALA . . . -89.21 -98.09 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 36' ' ' ALA . . . -39.57 -47.45 1.92 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.594 1.184 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.1 m -131.4 177.04 7.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.17 144.91 34.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.3 t -86.46 147.36 26.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.022 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.6 p -115.66 137.65 51.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.44 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.41 173.41 8.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 59.58 44.9 13.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 109.344 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.06 150.95 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.379 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.418 ' O ' ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -129.79 132.25 46.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 31' ' ' ASP . 22.9 tt0 -78.87 139.24 38.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.3 t -131.43 132.49 62.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.591 ' CD1' ' HB ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -107.48 110.3 22.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.978 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.423 ' CE1' ' HB2' ' A' ' 18' ' ' ALA . 2.9 m-85 -78.9 124.51 28.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.601 1.188 . . . . 0.0 111.071 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' A' ' 29' ' ' ARG . 20.2 m-85 -82.95 -12.12 57.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 111.085 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.535 ' HA3' ' NE1' ' A' ' 26' ' ' TRP . . . -72.51 -57.74 5.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.1 p -90.96 -15.9 28.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 74.6 38.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.087 . . . . 0.0 109.604 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -139.53 156.17 47.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.591 ' HB ' ' CD1' ' A' ' 48' ' ' PHE . 4.9 t -102.94 141.89 34.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.47 1.106 . . . . 0.0 110.437 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.99 159.09 42.96 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.414 1.071 . . . . 0.0 109.366 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.515 ' CG ' ' O ' ' A' ' 57' ' ' PHE . 4.2 p90 -74.92 126.01 30.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.625 1.203 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.431 ' CD2' ' HB3' ' A' ' 62' ' ' ASP . 4.0 mp -152.25 177.58 10.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -132.76 -162.42 10.25 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.444 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.1 Cg_endo -75.05 -31.51 6.08 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.519 1.8 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -46.46 73.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.431 ' HB3' ' CD2' ' A' ' 58' ' ' LEU . 2.6 m-20 -66.76 -12.31 58.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.502 HD21 ' CB ' ' A' ' 18' ' ' ALA . 15.5 mt -108.77 116.49 32.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -108.03 148.98 38.52 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.41 ' O ' ' HB3' ' A' ' 69' ' ' SER . 18.2 Cg_endo -75.05 164.65 32.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.511 1.795 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.514 ' CE2' ' HD2' ' A' ' 70' ' ' LYS . 9.3 t80 -81.72 -39.04 24.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -53.19 -51.28 62.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.608 1.193 . . . . 0.0 110.28 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.12 -34.45 76.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.404 1.065 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.465 ' HB2' ' CA ' ' A' ' 74' ' ' GLY . 1.6 p -64.32 -51.98 60.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.445 1.09 . . . . 0.0 109.997 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.514 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 2.1 pttm -68.77 -13.73 62.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.64 -44.2 57.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -106.53 -69.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' SER . 3.2 m-85 -133.12 -84.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.465 ' CA ' ' HB2' ' A' ' 69' ' ' SER . . . 71.6 4.88 59.02 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.433 1.083 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -113.08 95.24 33.85 Favored Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.547 0.793 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.573 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 18.0 Cg_endo -74.98 174.97 11.86 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.439 1.757 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.657 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 25.4 m-80 -49.47 119.04 3.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.479 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -71.52 75.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 14.7 mmt180 -89.68 -174.8 4.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -65.42 -67.26 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.06 -13.3 26.68 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.496 1.123 . . . . 0.0 110.938 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.657 ' CD2' ' O ' ' A' ' 77' ' ' ASN . 0.4 OUTLIER -75.99 -36.95 59.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 0.795 . . . . 0.0 111.056 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 40.4 t -74.64 -57.64 3.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.04 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 4.7 pt-20 -57.79 -36.06 71.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.098 . . . . 0.0 110.28 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.57 -52.71 28.56 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -61.21 -29.57 69.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 0.727 . . . . 0.0 109.288 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.572 ' CD1' ' ND2' ' A' ' 91' ' ' ASN . 0.2 OUTLIER -86.59 -22.38 26.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 0.0 107.964 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -68.16 -27.95 66.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.362 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.511 ' C ' ' CD1' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -95.79 -43.52 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.422 ' N ' HD12 ' A' ' 89' ' ' ILE . 15.8 mm-40 -70.81 -36.2 72.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.213 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.572 ' ND2' ' CD1' ' A' ' 87' ' ' TRP . 0.2 OUTLIER -133.51 72.92 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.969 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 8.1 p90 . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 120.46 0.171 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 14' ' ' ASP . 1.9 mtpp -141.11 -179.86 6.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.336 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.473 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 31.1 p -48.62 143.96 4.69 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.461 1.101 . . . . 0.0 108.301 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.47 -0.41 85.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.555 1.159 . . . . 0.0 111.096 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 15.5 t70 -77.41 152.05 34.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 109.225 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -116.95 127.18 53.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -146.55 176.81 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.642 1.214 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.609 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -93.3 109.81 21.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.494 ' CB ' HD23 ' A' ' 63' ' ' LEU . . . -93.44 130.41 39.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.5 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 3.3 tttm -115.22 141.07 48.52 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.483 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -130.31 153.67 48.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.067 . . . . 0.0 110.98 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -56.1 124.75 18.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.68 -20.97 24.96 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.692 ' CE2' ' CD2' ' A' ' 26' ' ' TRP . 2.5 t80 -113.59 133.85 22.12 Favored Pre-proline 0 C--N 1.328 -0.361 0 O-C-N 124.473 0.749 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 170.24 20.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.52 1.8 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.609 ' CD2' ' HB3' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -45.12 124.43 4.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.639 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.702 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.4 OUTLIER -129.4 144.11 51.54 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.583 1.177 . . . . 0.0 108.024 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.702 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.3 Cg_endo -74.94 109.32 2.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.518 1.799 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.509 ' CB ' ' HA ' ' A' ' 49' ' ' PHE . . . -130.1 162.09 29.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.483 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 9.0 ttt180 -102.17 154.63 18.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.586 1.179 . . . . 0.0 110.361 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.581 HD13 ' CD2' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -82.49 149.41 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 46' ' ' GLN . 12.8 m-20 -158.9 153.03 23.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -113.54 155.65 25.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.436 ' CE ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -73.21 118.84 72.08 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.464 1.102 . . . . 0.0 111.01 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 176.46 9.88 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 14.6 pt-20 -83.93 46.64 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.8 -54.0 2.36 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.574 1.171 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.65 -28.99 30.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.7 m -141.53 178.03 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.593 1.183 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -48.14 -79.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 41' ' ' THR . 1.1 p -146.1 -62.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 109.981 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.466 ' N ' ' OG ' ' A' ' 40' ' ' SER . 4.2 p -103.29 128.91 50.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 110.35 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -103.76 177.56 4.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.401 ' ND2' ' N ' ' A' ' 44' ' ' LYS . 1.3 p-10 -87.33 -35.87 18.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.436 ' O ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -92.67 156.0 17.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.581 ' CD2' HD13 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -98.75 147.64 24.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.428 ' N ' ' HE1' ' A' ' 33' ' ' MET . 18.4 tt0 -96.52 138.41 34.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.6 t -134.0 141.02 45.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.606 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -113.51 103.19 11.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.95 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.509 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 5.2 m-85 -72.4 117.85 14.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.399 1.062 . . . . 0.0 110.946 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.483 ' CE2' ' HB2' ' A' ' 29' ' ' ARG . 25.6 m-85 -73.15 -32.14 64.7 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.454 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . -56.73 -56.79 22.9 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.556 1.16 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.6 p -90.54 -22.76 21.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 0.738 . . . . 0.0 110.392 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER 73.95 38.82 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 109.585 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -129.24 151.75 49.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.606 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 4.9 m -95.56 112.25 24.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.414 1.071 . . . . 0.0 110.442 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -114.92 137.05 52.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 0.0 109.325 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.562 ' CG ' ' O ' ' A' ' 57' ' ' PHE . 7.2 p90 -72.8 121.53 20.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.461 ' CD2' ' CG ' ' A' ' 62' ' ' ASP . 31.6 mt -145.12 177.62 8.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.239 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.38 -160.65 10.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.399 1.062 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -74.98 -27.69 9.83 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -33.52 70.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.461 ' CG ' ' CD2' ' A' ' 58' ' ' LEU . 1.3 m-20 -83.18 -7.06 59.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.494 HD23 ' CB ' ' A' ' 18' ' ' ALA . 10.8 mt -117.13 116.5 27.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.422 ' HB2' ' NE2' ' A' ' 25' ' ' HIS . 2.3 m-85 -113.14 136.11 21.77 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.379 1.05 . . . . 0.0 111.038 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 64' ' ' PHE . 18.5 Cg_endo -74.92 154.97 43.3 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.511 1.795 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.414 ' CZ ' ' HD2' ' A' ' 70' ' ' LYS . 9.0 t80 -56.79 -37.98 71.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -49.58 76.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.445 1.091 . . . . 0.0 110.323 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.61 -46.11 55.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 74' ' ' GLY . 0.2 OUTLIER -54.27 -50.42 67.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.414 ' HD2' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -65.17 -27.22 68.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -59.47 -39.97 85.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -98.67 -67.69 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.259 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -132.53 -63.82 0.78 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.494 1.121 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 73.08 0.49 52.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.435 1.084 . . . . 0.0 111.033 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.77 97.36 17.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.347 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.554 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 18.2 Cg_endo -74.95 174.92 11.93 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.783 . . . . 0.0 111.026 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.636 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 0.9 OUTLIER -49.1 120.8 4.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.583 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -72.54 75.04 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.342 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.409 ' N ' ' HB3' ' A' ' 82' ' ' PHE . 19.7 mmt180 -88.22 -175.99 5.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -70.78 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.35 -13.9 11.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.636 ' CD2' ' O ' ' A' ' 77' ' ' ASN . 0.2 OUTLIER -77.81 -33.38 52.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 110.933 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.8 t -77.81 -58.97 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.0 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' A' ' 88' ' ' GLU . 3.1 pt-20 -55.56 -38.36 69.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.39 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -65.06 -62.06 5.26 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.504 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -50.58 -30.96 14.48 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.421 0.718 . . . . 0.0 109.315 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.476 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -87.39 -27.16 22.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 107.964 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 84' ' ' GLU . 2.0 tm-20 -73.47 -19.58 60.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.088 . . . . 0.0 110.334 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.506 ' C ' ' CD1' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -101.73 -39.65 6.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -82.57 -25.95 32.82 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.584 ' N ' HD21 ' A' ' 91' ' ' ASN . 0.3 OUTLIER -134.02 66.11 1.56 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.7 p30 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.474 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 11.9 p90 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.451 0.167 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -97.21 173.78 7.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.5 t -52.39 148.14 7.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 108.304 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.97 -10.21 71.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -72.04 149.97 44.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 0.79 . . . . 0.0 109.403 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.498 ' CD1' ' CG1' ' A' ' 89' ' ' ILE . 0.5 OUTLIER -120.75 131.23 54.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.503 ' CG2' ' HA ' ' A' ' 65' ' ' PRO . 0.4 OUTLIER -150.66 179.84 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.487 ' N ' ' CG1' ' A' ' 16' ' ' VAL . 23.5 m-85 -91.87 110.7 22.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.537 ' CB ' ' CD1' ' A' ' 63' ' ' LEU . . . -94.82 151.56 19.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.7 137.75 53.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.475 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -124.65 149.11 47.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.528 1.142 . . . . 0.0 110.952 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.85 120.51 8.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.391 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.18 -20.0 46.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.582 ' OH ' ' CZ2' ' A' ' 26' ' ' TRP . 0.7 OUTLIER -117.37 133.73 23.19 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.433 0.725 . . . . 0.0 110.977 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 25' ' ' HIS . 18.3 Cg_endo -75.02 173.59 14.24 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.48 1.779 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.514 ' O ' ' CG ' ' A' ' 76' ' ' PRO . 0.1 OUTLIER -39.52 128.96 1.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.59 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.672 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.8 OUTLIER -138.06 152.57 72.18 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 108.05 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.672 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.1 Cg_endo -75.02 103.65 1.77 Allowed 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.591 1.837 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.402 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -126.51 143.76 51.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.451 ' CD ' ' HG ' ' A' ' 15' ' ' LEU . 6.9 ttp180 -91.77 160.27 15.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.475 HD12 ' CE2' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -89.55 144.05 9.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 46' ' ' GLN . 9.3 m-20 -155.21 145.82 22.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -96.8 170.94 8.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 110.401 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.95 114.03 28.81 Favored Pre-proline 0 C--N 1.323 -0.552 0 O-C-N 124.572 1.17 . . . . 0.0 111.059 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 170.48 20.32 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.454 1.765 . . . . 0.0 110.936 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -148.01 34.64 0.83 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.71 -86.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.077 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.43 14.71 30.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.602 1.189 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.5 p -143.53 177.55 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.408 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HD3' ' N ' ' A' ' 39' ' ' LYS . 0.3 OUTLIER -109.16 -176.72 3.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.419 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.5 p -123.89 164.51 19.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.0 m -117.76 173.86 6.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 110.465 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' ASN . . . -100.31 158.63 15.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' ALA . 5.5 p30 40.44 72.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.35 145.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.475 ' CE2' HD12 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -126.34 152.29 46.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.502 ' OE1' ' CG2' ' A' ' 55' ' ' THR . 0.0 OUTLIER -91.75 128.82 37.73 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -129.88 118.79 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -97.22 110.6 23.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.059 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -83.75 120.5 26.1 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.492 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 9.1 m-85 -78.36 -31.52 48.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 111.072 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.547 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . -57.32 -56.96 22.29 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 p -82.59 -19.86 37.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 0.792 . . . . 0.0 110.391 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.4 t60 70.38 38.29 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.629 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -140.07 163.15 33.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.223 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.502 ' CG2' ' OE1' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -96.33 120.3 36.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.338 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -118.75 134.77 54.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.604 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 54.5 p90 -77.59 112.69 14.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.429 ' HB3' ' CB ' ' A' ' 62' ' ' ASP . 19.6 mt -133.26 177.62 7.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.56 1.162 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.76 -156.12 10.06 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.475 1.11 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 63' ' ' LEU . 17.9 Cg_endo -75.1 -44.62 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.779 . . . . 0.0 111.026 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -49.77 74.53 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.488 1.117 . . . . 0.0 109.229 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.429 ' CB ' ' HB3' ' A' ' 58' ' ' LEU . 1.6 m-20 -55.06 -21.58 13.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.378 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.537 ' CD1' ' CB ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -101.3 126.88 48.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.439 ' O ' HG12 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -132.65 137.22 29.3 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.503 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 18.1 Cg_endo -75.05 173.9 13.71 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.504 1.792 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -73.95 -37.73 64.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -52.54 -50.43 62.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -47.48 52.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.357 1.036 . . . . 0.0 110.274 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 74' ' ' GLY . 4.7 p -55.84 -48.13 76.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -22.55 65.1 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -63.04 -42.54 99.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -97.65 -67.49 0.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.397 1.06 . . . . 0.0 109.38 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -132.75 -66.7 0.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 76.8 -2.44 59.51 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -123.58 96.18 43.86 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.605 0.826 . . . . 0.0 109.344 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.514 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.4 Cg_endo -74.95 174.97 11.85 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.479 1.778 . . . . 0.0 111.06 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.563 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 1.0 OUTLIER -52.3 131.7 33.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.51 ' HG2' ' CE1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -84.84 85.41 7.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.405 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.466 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 27.0 mmt85 -97.7 -174.9 3.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 0.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -43.23 79.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.602 1.189 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.57 -7.93 85.79 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.602 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 2.5 t80 -82.68 -48.64 10.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 0.73 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.1 OUTLIER -67.2 -51.95 47.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 88' ' ' GLU . 5.4 pt-20 -69.5 -36.16 76.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.223 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.407 ' O ' HG23 ' A' ' 89' ' ' ILE . . . -63.5 -53.57 37.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.47 1.106 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.5 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -59.65 -28.2 67.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 0.767 . . . . 0.0 109.37 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.456 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -86.62 -20.84 27.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 107.989 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 84' ' ' GLU . 4.9 mt-10 -73.64 -22.88 59.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.512 ' C ' ' CD1' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -100.15 -42.32 10.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.432 1.082 . . . . 0.0 109.24 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -76.72 -31.62 57.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.211 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.52 ' ND2' ' N ' ' A' ' 91' ' ' ASN . 0.4 OUTLIER -133.13 72.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.227 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.955 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 p90 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.467 0.175 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.04 164.94 34.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.8 t -42.2 119.47 1.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 108.256 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 112.02 -8.08 27.3 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.44 1.088 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -78.67 122.71 26.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 0.736 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.482 HD21 ' CB ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -99.86 141.96 31.98 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -164.07 177.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 109.324 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.583 ' O ' ' CE1' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -93.1 109.36 20.84 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.506 ' CA ' HD22 ' A' ' 63' ' ' LEU . . . -109.62 128.73 55.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.508 ' CB ' ' HA ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -107.45 161.54 14.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.16 162.79 30.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.33 118.13 5.2 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 0.0 109.382 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.3 -15.56 49.21 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 111.048 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.585 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 2.2 t80 -109.52 135.46 20.33 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.439 0.729 . . . . 0.0 111.043 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.585 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 18.6 Cg_endo -74.96 155.88 43.16 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.583 1.833 . . . . 0.0 111.019 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.583 ' CE1' ' O ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -40.91 117.31 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.565 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.615 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -121.34 157.06 57.02 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.497 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.6 Cg_endo -74.98 103.64 1.76 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.541 1.811 . . . . 0.0 111.073 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.91 151.4 43.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.599 1.187 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.49 ' CG ' ' HB3' ' A' ' 48' ' ' PHE . 12.6 ptt180 -104.28 150.41 24.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -72.44 147.95 9.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 109.235 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -160.91 147.51 15.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.12 171.96 7.06 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 110.246 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.1 132.63 82.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 111.092 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 173.83 13.79 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 111.032 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -150.92 20.99 0.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.356 1.035 . . . . 0.0 110.364 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.34 -75.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.59 -57.14 13.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.1 m -136.16 148.72 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.385 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.428 ' N ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -101.49 80.68 2.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.609 1.193 . . . . 0.0 109.26 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.0 95.71 5.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.593 1.183 . . . . 0.0 109.983 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.4 p -78.07 121.14 23.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 110.368 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.46 ' CB ' ' HE2' ' A' ' 44' ' ' LYS . . . -104.66 151.29 23.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -86.88 54.08 3.05 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.544 1.153 . . . . 0.0 109.38 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.46 ' HE2' ' CB ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -153.84 178.22 10.14 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.631 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -109.86 126.74 54.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.464 ' OE1' ' CG2' ' A' ' 55' ' ' THR . 0.0 OUTLIER -73.77 108.09 6.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.565 ' CG2' ' OH ' ' A' ' 45' ' ' TYR . 12.2 p -94.35 140.05 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.49 ' HB3' ' CG ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -121.75 98.23 5.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 0.0 110.933 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -74.94 126.12 30.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 110.955 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.585 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 2.2 m-85 -87.73 -55.07 3.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 111.069 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.25 -52.45 2.8 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.457 1.098 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.505 ' CG2' ' OH ' ' A' ' 23' ' ' TYR . 47.9 p -84.56 -26.38 28.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 0.783 . . . . 0.0 110.432 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 74.06 38.43 0.56 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.545 1.153 . . . . 0.0 109.6 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -133.28 164.1 27.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.464 ' CG2' ' OE1' ' A' ' 46' ' ' GLN . 0.6 OUTLIER -105.71 161.32 14.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.412 ' N ' HG22 ' A' ' 55' ' ' THR . . . -163.05 -179.66 6.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.455 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 2.6 p90 -122.65 103.76 8.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.937 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.532 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 67.4 mt -126.84 178.39 5.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.634 1.209 . . . . 0.0 109.308 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.32 -161.43 11.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -26.59 10.73 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.476 1.777 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -16.72 60.85 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.406 ' CG ' ' CD2' ' A' ' 58' ' ' LEU . 1.2 m-20 -102.48 5.58 39.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 109.378 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.597 HD11 ' CE2' ' A' ' 45' ' ' TYR . 5.0 mt -128.88 126.19 39.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.423 ' CD2' ' HD2' ' A' ' 65' ' ' PRO . 0.2 OUTLIER -124.96 144.64 47.6 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.91 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.423 ' HD2' ' CD2' ' A' ' 64' ' ' PHE . 18.5 Cg_endo -74.92 167.31 27.36 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -79.78 -39.73 30.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.37 -51.33 59.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.519 1.137 . . . . 0.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.59 -47.76 30.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.246 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 73' ' ' PHE . 9.9 m -53.74 -45.83 70.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.929 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -20.2 60.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -60.54 -44.79 95.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.49 ' HE2' ' CD1' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -103.15 -66.66 0.92 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.49 ' CD1' ' HE2' ' A' ' 72' ' ' LYS . 1.4 m-85 -132.09 -82.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.071 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.78 9.5 62.59 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.505 1.128 . . . . 0.0 111.075 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -114.66 94.76 38.21 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 109.229 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 174.86 12.06 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.459 1.768 . . . . 0.0 111.079 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.582 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 0.9 OUTLIER -49.72 127.48 16.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.456 1.097 . . . . 0.0 109.363 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.568 ' HD2' ' CZ ' ' A' ' 82' ' ' PHE . 2.5 mptp? -78.84 86.29 4.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.611 1.194 . . . . 0.0 109.267 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.554 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 13.5 mmt85 -100.96 -174.86 2.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 110.254 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.56 -53.56 22.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.403 1.064 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.69 -5.29 50.51 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.56 1.163 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.615 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 1.8 t80 -81.81 -48.5 11.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 111.054 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.573 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 30.4 t -68.52 -54.53 16.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.505 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 4.6 pt-20 -70.31 -9.25 55.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.352 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.05 -64.14 1.75 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.509 1.131 . . . . 0.0 110.927 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.573 ' CD1' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -58.68 -23.93 60.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 0.789 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.555 ' CD1' ' ND2' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -86.22 -28.87 23.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 108.009 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 1.2 mm-40 -66.75 -24.01 66.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.585 ' HB ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -100.17 -43.67 11.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.424 ' N ' HD11 ' A' ' 89' ' ' ILE . 1.4 mm-40 -69.85 -26.4 64.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.07 . . . . 0.0 110.332 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.555 ' ND2' ' CD1' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -133.5 61.68 1.67 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.429 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 9.2 p-10 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.422 ' CD2' ' O ' ' A' ' 10' ' ' TYR . 27.6 p90 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.58 0.228 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' CYS . 2.4 ptmt -121.6 -179.95 4.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.465 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 4.7 t -41.59 135.96 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 108.349 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.9 1.2 59.95 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.1 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -102.77 127.54 49.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.408 ' CD2' ' O ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -97.99 141.72 30.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.422 ' CG2' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -159.95 179.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -90.76 108.89 20.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.589 1.181 . . . . 0.0 110.925 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.471 ' CB ' HD12 ' A' ' 63' ' ' LEU . . . -113.33 128.29 56.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.554 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -108.24 163.02 13.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.341 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -132.27 163.59 28.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.65 118.0 4.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.72 -19.12 26.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.605 1.19 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.449 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.4 t80 -103.0 134.48 19.77 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.581 0.813 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.574 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -75.05 157.45 42.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.398 1.736 . . . . 0.0 110.981 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -42.33 111.58 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.671 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.618 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -117.24 158.71 43.89 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 107.92 -179.904 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 103.13 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.79 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.408 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -122.04 152.02 40.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.09 137.16 43.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.538 HD13 ' CD2' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -63.24 142.13 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.585 1.178 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.436 ' N ' HD12 ' A' ' 30' ' ' ILE . 0.7 OUTLIER -150.45 148.88 29.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -107.58 143.0 36.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.612 1.195 . . . . 0.0 110.362 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.524 ' CG ' ' O ' ' A' ' 33' ' ' MET . 11.0 ptp -72.76 118.04 64.69 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.41 1.069 . . . . 0.0 110.959 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.91 11.96 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.616 1.85 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -131.21 36.81 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.251 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.88 -60.67 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.42 -44.25 95.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.571 1.169 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.7 p -143.36 171.11 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.2 111.36 22.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.5 t -121.4 177.53 5.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.118 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.4 p -118.95 179.83 4.04 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.71 127.7 42.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.9 p30 174.19 -34.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.449 ' HG3' ' CE ' ' A' ' 33' ' ' MET . 32.3 pttt -115.63 178.01 4.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.538 ' CD2' HD13 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -132.72 151.95 51.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.422 ' O ' ' O ' ' A' ' 31' ' ' ASP . 9.7 tt0 -96.93 134.21 40.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.8 t -125.93 130.76 72.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.234 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.594 ' CE1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -107.91 98.49 8.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.911 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -72.28 125.46 27.4 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.412 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 3.5 m-85 -88.46 -55.42 3.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 111.018 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.417 ' HA2' ' CA ' ' A' ' 85' ' ' GLY . . . -39.58 -36.85 0.75 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.06 -26.53 12.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 110.367 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 74.3 36.52 0.65 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.118 . . . . 0.0 109.619 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -127.35 163.4 24.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.594 ' OG1' ' CE1' ' A' ' 48' ' ' PHE . 18.1 m -120.09 135.57 54.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.485 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.82 169.21 17.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.098 . . . . 0.0 109.22 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.541 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 53.5 p90 -92.82 118.08 30.72 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.507 1.129 . . . . 0.0 111.04 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.417 ' CD2' ' CG ' ' A' ' 62' ' ' ASP . 19.0 mt -144.09 178.21 8.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.7 -166.39 11.75 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.419 1.074 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -17.71 19.44 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.78 -31.03 67.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.417 ' CG ' ' CD2' ' A' ' 58' ' ' LEU . 1.0 OUTLIER -93.07 -0.38 57.1 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.471 HD12 ' CB ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -109.06 135.71 49.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.344 1.027 . . . . 0.0 109.318 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.577 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -132.88 140.43 37.66 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 170.32 20.69 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.439 1.758 . . . . 0.0 111.07 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.588 ' CE2' ' CD ' ' A' ' 70' ' ' LYS . 20.7 t80 -82.59 -42.03 18.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -52.02 -50.89 60.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.265 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.82 -32.93 74.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.389 1.055 . . . . 0.0 110.376 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.491 ' CB ' ' HA3' ' A' ' 74' ' ' GLY . 0.7 OUTLIER -67.61 -52.14 41.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.595 1.184 . . . . 0.0 110.041 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.588 ' CD ' ' CE2' ' A' ' 66' ' ' TYR . 0.4 OUTLIER -68.67 -11.73 60.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -45.54 33.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.367 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -106.23 -69.75 0.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.369 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 69' ' ' SER . 42.1 m-85 -133.37 -82.5 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.942 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.491 ' HA3' ' CB ' ' A' ' 69' ' ' SER . . . 70.8 25.59 75.47 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.92 93.9 22.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 109.209 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 174.92 11.94 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.454 1.765 . . . . 0.0 111.006 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.586 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 3.2 m-80 -49.34 138.93 12.25 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.541 ' HD2' ' CD1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -89.93 88.7 7.42 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.473 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 6.4 mmt180 -100.22 -175.71 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -68.89 -47.03 66.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.593 1.183 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.78 -8.14 71.81 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.439 1.087 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.618 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 2.3 t80 -82.86 -44.12 15.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 0.79 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 4.6 t -69.64 -56.1 8.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.622 1.201 . . . . 0.0 109.975 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 6.6 pt-20 -68.34 -25.87 65.32 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.441 1.088 . . . . 0.0 110.235 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.417 ' CA ' ' HA2' ' A' ' 51' ' ' GLY . . . -72.61 -56.91 5.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.45 1.094 . . . . 0.0 111.069 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.425 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -57.56 -27.47 62.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 0.0 109.26 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.597 ' CD1' ' ND2' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -87.24 -23.55 24.69 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -69.2 -23.76 63.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.437 HD11 ' N ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -99.48 -41.66 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.207 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.437 ' N ' HD11 ' A' ' 89' ' ' ILE . 2.7 mm-40 -74.72 -27.24 60.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 110.251 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.597 ' ND2' ' CD1' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -133.68 60.98 1.69 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.248 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.505 0.193 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -179.65 140.57 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -40.1 148.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.09 128.92 56.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.015 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -68.02 151.82 46.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -69.93 -178.5 1.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.477 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -102.17 -82.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -115.56 -26.15 7.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.416 ' N ' ' HG2' ' A' ' 8' ' ' LYS . 1.4 pt-20 -119.83 141.67 49.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.631 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -66.32 142.81 57.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.67 176.26 11.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.421 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 2.2 t -42.69 143.27 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.172 . . . . 0.0 108.285 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.18 -2.86 85.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -86.12 129.66 34.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.262 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -102.9 127.45 50.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.364 1.04 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -145.59 178.63 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.434 1.083 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.461 ' O ' ' NE2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -92.3 114.75 27.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.952 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.499 ' CA ' HD21 ' A' ' 63' ' ' LEU . . . -110.99 130.03 55.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' HB3' ' CG ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -111.59 153.94 25.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -130.56 162.1 30.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.96 118.61 5.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.342 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.13 -14.08 51.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -111.32 134.4 21.15 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.772 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.593 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -75.0 155.35 42.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.523 ' CG ' ' HB3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -43.02 111.77 0.3 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.388 1.055 . . . . 0.0 109.577 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.61 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -113.25 157.79 40.03 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.576 1.173 . . . . 0.0 108.015 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 102.88 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.462 1.77 . . . . 0.0 111.063 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 16' ' ' VAL . . . -125.58 147.82 49.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -94.61 160.18 14.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.581 HD11 ' CE2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -87.87 144.61 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.431 ' N ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -154.16 150.0 27.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.398 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -92.33 147.97 22.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.149 . . . . 0.0 110.272 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.473 ' CG ' ' O ' ' A' ' 33' ' ' MET . 3.0 ptt? -73.95 113.56 24.37 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 111.051 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 174.77 12.2 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -144.57 41.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.624 1.203 . . . . 0.0 110.224 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.14 -70.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 109.299 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.03 -47.94 79.72 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.349 1.031 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.1 m -138.21 177.14 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.27 103.58 14.58 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.2 m -63.42 175.54 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.055 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.2 p -117.07 -172.17 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.353 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . -100.58 177.61 4.96 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.405 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 5.9 p30 41.33 62.05 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.2 147.26 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.581 ' CE2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -129.88 152.85 48.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 31' ' ' ASP . 32.0 tt0 -89.67 127.27 35.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.4 t -123.99 134.85 65.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.61 ' CE1' ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -111.31 114.12 27.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 54' ' ' GLU . 5.7 m-85 -86.94 126.29 34.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.438 1.087 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.543 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 17.6 m-85 -78.53 -58.72 3.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.59 -56.23 2.51 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.442 1.088 . . . . 0.0 111.082 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.3 p -79.57 -31.11 41.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.767 . . . . 0.0 110.434 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.7 t60 74.29 39.35 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.641 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 49' ' ' PHE . 7.8 pt-20 -140.19 159.2 42.72 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.61 ' OG1' ' CE1' ' A' ' 48' ' ' PHE . 46.1 m -98.76 148.15 24.17 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.622 1.201 . . . . 0.0 110.407 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -147.37 140.47 25.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -75.12 100.65 4.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 62' ' ' ASP . 13.2 mt -131.24 172.91 11.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.088 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.07 -157.1 9.37 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.15 . . . . 0.0 110.933 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.12 -24.2 12.86 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.447 1.762 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -72.81 -20.77 61.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.437 ' HB3' ' CD1' ' A' ' 58' ' ' LEU . 1.2 m-20 -105.11 10.67 33.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.499 HD21 ' CA ' ' A' ' 18' ' ' ALA . 7.0 mt -133.92 133.02 40.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -133.8 132.9 21.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 111.021 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.96 162.81 36.6 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.557 1.819 . . . . 0.0 111.011 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.436 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 7.5 t80 -59.14 -41.39 88.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -52.89 -48.47 67.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.252 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.43 -45.6 37.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 74' ' ' GLY . 0.5 OUTLIER -56.03 -51.25 68.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.011 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.436 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -66.18 -25.06 66.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -42.81 91.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.6 -65.77 0.99 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.515 1.134 . . . . 0.0 109.205 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -131.44 -72.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.673 1.233 . . . . 0.0 110.99 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 76.02 2.3 71.29 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.46 94.17 23.34 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.567 0.804 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.425 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.2 Cg_endo -74.94 175.56 11.06 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.435 1.755 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.572 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 2.4 m-80 -48.58 140.0 8.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.14 90.35 6.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.457 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 6.0 mmm180 -100.84 -175.35 2.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 0.0 110.254 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -67.93 -45.92 72.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.13 -10.36 73.53 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.542 1.151 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.61 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 3.2 t80 -82.15 -44.24 16.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 0.727 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.2 OUTLIER -66.56 -55.23 16.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.952 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -69.33 -27.02 65.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 110.209 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.78 -56.39 8.36 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -58.91 -28.62 66.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 0.804 . . . . 0.0 109.36 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.559 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -85.05 -22.37 29.02 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.67 -24.86 62.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.543 ' HB ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -97.49 -44.31 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.436 ' N ' HD12 ' A' ' 89' ' ' ILE . 15.6 mm-40 -74.95 -28.62 60.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.14 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.559 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -134.22 67.3 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.475 ' OD1' ' C ' ' A' ' 94' ' ' THR . 4.3 p30 -57.55 154.68 23.47 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -50.34 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.477 1.777 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.475 ' C ' ' OD1' ' A' ' 92' ' ' ASN . 86.0 m -88.43 65.23 7.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.474 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 9.8 p -76.5 176.29 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.589 1.181 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.99 -38.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.11 134.21 34.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.24 126.22 12.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 109.986 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 174.92 149.96 7.53 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.474 1.109 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.611 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.534 0.785 . . . . 0.0 111.017 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.594 0.235 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.6 149.85 48.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.024 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -87.56 144.78 26.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.259 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.0 p -112.96 126.04 55.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 110.046 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -171.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.501 ' CZ ' ' OD2' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -66.69 -178.38 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.428 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 1.6 pm0 -108.49 -42.12 4.65 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.425 1.078 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.438 ' HD3' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -141.22 -40.8 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.176 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 9.4 pt-20 -59.43 98.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.507 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 2.9 p90 -122.84 128.64 50.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -139.81 -178.74 5.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -40.48 133.96 1.82 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 108.331 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.34 -10.12 65.14 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.44 1.087 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.501 ' OD2' ' CZ ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -82.1 131.69 35.24 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.93 143.81 32.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -161.97 176.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.548 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -93.97 117.38 30.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.994 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.6 134.62 34.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.331 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.516 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 4.1 tptt -124.61 121.65 35.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.591 1.182 . . . . 0.0 109.356 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.1 ttp -131.27 155.89 46.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.948 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -56.96 123.46 15.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.46 -18.95 30.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.539 1.149 . . . . 0.0 111.081 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 26' ' ' TRP . 25.1 t80 -110.62 122.32 38.68 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.472 0.748 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.511 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -75.0 156.92 43.0 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -41.68 114.22 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.552 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.58 ' CZ2' ' HB2' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -126.29 153.28 74.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 108.044 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.437 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.1 Cg_endo -75.06 102.87 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.401 1.738 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 49' ' ' PHE . . . -121.74 148.35 44.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.405 1.065 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.459 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 11.5 ptt180 -96.19 153.96 17.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.603 1.189 . . . . 0.0 110.21 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.576 HD12 ' CE2' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -80.55 146.2 7.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 109.18 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.47 ' CB ' ' HB3' ' A' ' 46' ' ' GLN . 1.3 m-20 -148.42 152.24 36.63 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.232 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -108.61 154.03 22.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.9 mmm -82.27 115.34 57.25 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.591 1.182 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 169.2 23.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -142.48 33.46 1.46 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 110.339 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -99.66 -70.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.67 -44.98 66.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.372 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.3 m -142.63 162.37 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.78 102.91 12.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.248 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 m -107.82 168.04 9.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.971 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.1 p -86.32 124.13 32.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.113 . . . . 0.0 110.406 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.92 122.29 28.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -163.01 -43.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.58 1.175 . . . . 0.0 109.353 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.47 178.69 4.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.576 ' CE2' HD12 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -111.77 152.3 27.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.47 ' HB3' ' CB ' ' A' ' 31' ' ' ASP . 1.8 tt0 -89.16 138.33 31.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.4 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -128.38 140.54 48.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.393 1.058 . . . . 0.0 109.348 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.603 ' CE2' ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -131.83 109.81 10.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 111.028 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.472 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 4.7 m-85 -80.99 120.89 25.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.564 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 5.2 m-85 -71.28 -58.42 3.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.989 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.95 -56.08 2.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.501 HG23 ' CE1' ' A' ' 23' ' ' TYR . 2.3 p -81.51 -31.07 33.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 0.752 . . . . 0.0 110.383 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' PHE . 7.6 t-80 74.54 37.84 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.659 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -121.42 177.95 4.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.603 ' OG1' ' CE2' ' A' ' 48' ' ' PHE . 24.6 m -134.11 150.84 51.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 110.412 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -156.77 171.87 19.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.232 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.599 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 47.3 p90 -97.19 105.3 17.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.412 ' O ' ' O ' ' A' ' 45' ' ' TYR . 8.3 mp -133.46 177.65 7.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.26 -157.17 8.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -75.01 -27.74 9.75 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.482 1.78 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -69.76 -42.87 73.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.54 -8.65 56.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' A' ' 60' ' ' PRO . 15.7 mt -113.06 115.98 29.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.537 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 1.9 m-85 -103.21 142.57 24.85 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.375 1.047 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 166.49 29.07 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.539 1.81 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.594 ' CE1' ' CD ' ' A' ' 70' ' ' LYS . 5.9 t80 -81.82 -37.75 26.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.81 -49.97 69.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.235 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -68.85 -33.78 74.38 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.488 1.118 . . . . 0.0 110.34 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.487 ' CB ' ' HA3' ' A' ' 74' ' ' GLY . 0.7 OUTLIER -64.95 -53.6 43.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.977 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.594 ' CD ' ' CE1' ' A' ' 66' ' ' TYR . 3.2 pttm -66.92 -16.28 64.22 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.56 -49.13 61.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.43 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.3 -69.05 0.82 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.611 1.195 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' A' ' 69' ' ' SER . 1.5 m-85 -133.05 -83.52 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 111.009 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.487 ' HA3' ' CB ' ' A' ' 69' ' ' SER . . . 72.33 9.16 72.35 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -113.54 95.53 36.75 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.47 0.747 . . . . 0.0 109.344 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.467 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.3 Cg_endo -75.02 174.01 13.53 Favored 'Trans proline' 0 C--N 1.362 1.249 0 O-C-N 124.541 1.811 . . . . 0.0 111.052 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.526 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 4.1 m-80 -49.6 130.61 20.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.208 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.607 ' CD ' ' CE1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -83.49 87.42 7.0 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.527 1.142 . . . . 0.0 109.381 179.89 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.491 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 25.0 mmt85 -99.98 -174.54 2.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.076 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -49.86 55.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -70.22 -9.15 63.39 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.619 1.2 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.607 ' CE1' ' CD ' ' A' ' 78' ' ' LYS . 1.6 t80 -81.77 -44.58 16.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 0.8 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 22.9 t -67.28 -55.98 11.68 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.592 1.182 . . . . 0.0 109.997 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 5.1 pt-20 -69.41 -23.01 63.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.404 ' O ' HG21 ' A' ' 89' ' ' ILE . . . -74.18 -57.09 4.9 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.516 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -58.52 -27.97 64.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 0.794 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.559 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -86.55 -22.06 26.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -70.66 -24.11 62.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.564 ' HB ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -97.71 -43.79 12.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.45 ' N ' HD12 ' A' ' 89' ' ' ILE . 1.9 mm-40 -74.78 -29.49 61.13 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 0.0 110.348 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.559 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -134.08 68.62 1.48 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 109.441 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -70.05 130.83 89.4 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -33.85 4.3 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.808 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.0 t -125.84 86.85 2.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.387 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.8 p -76.07 -177.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.381 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.412 ' HD2' ' N ' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -171.53 -43.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.412 ' N ' ' HD2' ' A' ' 96' ' ' LYS . . . -82.56 108.07 15.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.234 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 m 62.64 160.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 110.008 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -107.9 -158.86 20.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.592 1.183 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.609 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.497 0.763 . . . . 0.0 111.036 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.448 0.166 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.9 p -142.55 143.7 32.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.133 . . . . 0.0 110.034 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.91 159.51 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.01 115.71 30.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.979 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -103.7 169.52 8.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 109.271 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.493 ' CZ ' ' OD2' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -73.84 -177.72 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 110.282 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.427 ' CG ' ' HD3' ' A' ' 8' ' ' LYS . 1.8 pm0 -109.41 -41.19 4.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.427 ' HD3' ' CG ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -141.12 -40.9 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.472 ' CG ' ' HB2' ' A' ' 6' ' ' ARG . 14.2 pt-20 -58.34 97.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.567 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 2.7 p90 -119.29 124.09 45.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' CYS . 2.5 mtpp -138.86 -179.99 6.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' LYS . 28.9 p -39.19 136.2 0.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 108.222 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.99 -6.44 81.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.493 ' OD2' ' CZ ' ' A' ' 6' ' ' ARG . 1.2 t70 -87.02 129.09 35.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -104.53 130.69 52.45 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.162 . . . . 0.0 109.267 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.476 ' CG2' HD21 ' A' ' 63' ' ' LEU . 1.5 m -148.38 179.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.236 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.521 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -91.25 125.68 36.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.504 ' CB ' HD22 ' A' ' 63' ' ' LEU . . . -125.1 135.29 52.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -122.32 149.5 43.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.422 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -131.15 160.84 33.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.89 122.42 12.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.17 -20.32 30.26 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.511 ' OH ' ' CG2' ' A' ' 52' ' ' THR . 5.5 t80 -111.11 131.92 21.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.951 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.463 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.6 Cg_endo -74.89 155.14 43.46 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.471 1.774 . . . . 0.0 111.052 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -41.08 116.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.664 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.592 ' CZ2' ' HB2' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -123.61 157.33 62.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.6 1.188 . . . . 0.0 107.952 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.523 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -74.99 103.64 1.77 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.5 ' HB1' ' CD1' ' A' ' 49' ' ' PHE . . . -121.76 145.77 47.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -94.28 160.19 14.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.333 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.587 HD11 ' CE2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -85.95 147.32 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.15 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.435 ' N ' HD12 ' A' ' 30' ' ' ILE . 3.3 m-20 -156.67 150.51 24.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.88 152.26 18.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.08 117.78 65.51 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 171.35 18.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.42 1.747 . . . . 0.0 111.008 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -145.59 36.08 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.58 -65.79 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.232 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.56 -49.16 77.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.359 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.8 m -137.41 177.08 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.352 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.92 107.62 19.17 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.1 m -68.47 176.45 2.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.044 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 48.4 p -115.67 -173.32 2.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -103.41 -179.92 4.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.9 p30 41.28 59.88 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.37 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.512 ' HE3' ' CD1' ' A' ' 57' ' ' PHE . 4.2 ptmm? -172.48 147.26 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.587 ' CE2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -127.83 152.35 47.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 31' ' ' ASP . 34.8 tt0 -93.02 130.61 38.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 110.248 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.7 t -125.77 139.91 50.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.47 1.106 . . . . 0.0 109.217 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.596 ' CE1' ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -115.84 109.69 18.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 111.076 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.5 ' CD1' ' HB1' ' A' ' 28' ' ' ALA . 3.5 m-85 -81.18 126.1 31.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.519 ' CG ' ' HB ' ' A' ' 89' ' ' ILE . 9.8 m-85 -77.22 -59.05 2.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.165 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.41 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . -38.45 -56.64 1.93 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.511 ' CG2' ' OH ' ' A' ' 23' ' ' TYR . 23.8 p -81.49 -31.27 32.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.397 0.704 . . . . 0.0 110.352 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.5 t60 74.61 39.14 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.6 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -136.76 154.81 50.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.075 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.596 ' OG1' ' CE1' ' A' ' 48' ' ' PHE . 23.5 m -96.18 151.64 19.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -153.7 150.4 28.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.251 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.512 ' CD1' ' HE3' ' A' ' 44' ' ' LYS . 25.7 m-85 -76.68 109.56 10.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 45' ' ' TYR . 6.7 mp -141.54 176.99 8.44 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.516 1.135 . . . . 0.0 109.365 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.58 -155.85 6.61 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.454 1.096 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.3 Cg_endo -74.92 -25.18 12.28 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.579 1.831 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.28 -28.85 64.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -96.62 -2.29 45.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.504 HD22 ' CB ' ' A' ' 18' ' ' ALA . 11.7 mt -117.55 143.64 45.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -135.91 145.73 53.9 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.487 1.117 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 166.16 29.8 Favored 'Trans proline' 0 C--N 1.362 1.259 0 O-C-N 124.474 1.776 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.431 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 5.1 t80 -81.77 -35.47 29.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -50.49 72.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.23 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -68.94 -47.65 65.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.436 ' HB2' ' CA ' ' A' ' 74' ' ' GLY . 5.4 p -59.16 -51.37 70.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.974 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.431 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -68.01 -13.7 62.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -50.91 41.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.28 -67.67 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' SER . 6.1 m-85 -132.55 -85.35 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 111.045 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.436 ' CA ' ' HB2' ' A' ' 69' ' ' SER . . . 71.26 9.9 68.58 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -113.89 95.25 37.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.477 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.3 Cg_endo -75.06 174.94 11.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.546 1.814 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.545 ' H ' ' ND2' ' A' ' 77' ' ' ASN . 1.9 m-80 -49.09 136.48 14.72 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.512 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -90.47 91.48 8.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.098 . . . . 0.0 109.355 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.443 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 6.1 mmt180 -100.54 -175.44 2.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.358 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -43.47 78.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.76 -10.61 80.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.42 1.075 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.592 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 3.3 t80 -81.52 -46.5 14.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 0.786 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.1 OUTLIER -66.17 -55.3 16.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.168 . . . . 0.0 110.024 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -69.32 -26.3 64.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.267 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.411 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -69.79 -57.09 7.45 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.62 -30.43 67.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.633 0.843 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.533 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -82.99 -20.94 34.17 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.51 -24.15 60.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.519 ' HB ' ' CG ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -98.21 -45.05 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.234 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.444 ' N ' HD13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -74.57 -28.59 61.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.342 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.561 ' ND2' ' N ' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -134.48 61.27 1.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.585 1.178 . . . . 0.0 109.225 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -63.42 146.64 96.2 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -32.55 5.22 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.494 1.786 . . . . 0.0 111.068 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 94' ' ' THR . 13.4 t -126.84 92.88 3.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.412 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.9 p -81.41 -173.67 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.3 pttt 179.7 -36.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -45.36 120.92 2.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.3 p -40.77 140.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 110.023 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 131.19 -74.85 0.43 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.547 1.155 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.614 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.475 0.75 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.516 0.198 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.65 153.1 51.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 ptt85 -99.37 146.14 26.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.158 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.6 m -94.83 138.88 32.05 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.568 1.167 . . . . 0.0 109.942 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -105.02 -179.98 4.1 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.387 1.055 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -83.79 -178.76 7.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.481 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 1.6 pm0 -108.98 -41.86 4.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.431 ' HD3' ' CG ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -140.6 -38.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 14.4 pt-20 -67.04 103.22 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.07 . . . . 0.0 110.26 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.498 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 2.8 p90 -141.02 127.72 20.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.634 1.209 . . . . 0.0 111.036 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.34 -179.7 5.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.7 t -43.0 142.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 108.194 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.85 -21.87 40.48 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.538 1.149 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.5 ' OD2' ' CZ ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -76.05 138.48 40.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.395 0.703 . . . . 0.0 109.282 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.499 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 34.2 tp -112.82 141.74 46.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.407 1.067 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 15' ' ' LEU . 2.2 m -164.01 178.33 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -92.52 120.15 32.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.04 147.57 24.92 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.576 1.172 . . . . 0.0 109.311 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 6.8 tptm -137.27 118.39 14.43 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -134.22 165.56 24.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.68 135.63 51.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.0 6.24 12.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.425 1.078 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.608 ' CE1' ' HB2' ' A' ' 26' ' ' TRP . 15.2 t80 -126.81 115.18 22.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 0.0 110.955 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.574 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -74.91 156.9 43.41 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.479 1.778 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -46.76 117.72 1.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.608 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.608 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -134.03 158.56 75.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.602 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.3 Cg_endo -74.91 103.44 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.54 145.55 47.84 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.477 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -94.85 140.46 29.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.564 HD12 ' CE2' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -73.37 141.37 16.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.506 ' O ' ' CB ' ' A' ' 46' ' ' GLN . 5.4 m-20 -144.9 147.52 32.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -96.75 148.55 22.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.305 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.414 ' CG ' ' O ' ' A' ' 33' ' ' MET . 5.6 ptm -77.88 118.48 72.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.179 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 174.06 13.44 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.533 1.807 . . . . 0.0 111.032 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -103.86 29.75 5.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.259 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.17 -63.74 1.37 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.56 -46.54 85.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -143.25 177.06 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.0 144.62 57.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.1 t -96.61 74.38 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.062 . . . . 0.0 110.07 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 86.8 m -117.09 174.2 6.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.501 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -100.57 127.84 46.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.419 1.074 . . . . 0.0 109.353 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.3 p30 168.93 -32.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -146.31 144.3 29.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.564 ' CE2' HD12 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -104.7 152.19 22.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.506 ' CB ' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -84.32 133.09 34.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -124.64 145.51 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.605 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -137.42 113.73 10.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.154 . . . . 0.0 110.978 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.414 ' HB2' ' OG1' ' A' ' 52' ' ' THR . 3.7 m-85 -85.7 129.79 34.73 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.55 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 12.8 m-85 -79.85 -60.61 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.06 -57.54 2.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.569 1.168 . . . . 0.0 111.052 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.414 ' OG1' ' HB2' ' A' ' 49' ' ' PHE . 33.9 p -78.94 -28.71 43.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 0.766 . . . . 0.0 110.485 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 70.69 40.71 0.98 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 109.583 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -123.06 165.39 16.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.605 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 1.3 m -123.32 143.24 50.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.407 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.443 ' N ' HG22 ' A' ' 55' ' ' THR . . . -153.03 -179.69 7.91 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.464 1.103 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.457 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 41.6 p90 -107.49 115.22 29.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 45' ' ' TYR . 95.2 mt -141.5 176.74 8.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.1 -157.17 8.96 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -29.5 8.14 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.538 1.81 . . . . 0.0 111.053 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -35.03 77.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -86.73 2.0 50.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.377 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.474 ' CD1' HG12 ' A' ' 30' ' ' ILE . 15.2 mt -121.55 120.76 35.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -112.11 140.45 23.54 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.395 1.059 . . . . 0.0 110.998 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 169.69 22.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -82.47 -39.22 22.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -51.26 64.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -47.62 75.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.491 ' CB ' ' HA3' ' A' ' 74' ' ' GLY . 1.2 p -55.91 -50.2 71.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.029 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -11.73 61.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.28 -49.73 53.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.0 -67.6 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 69' ' ' SER . 0.2 OUTLIER -132.83 -75.64 0.49 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.591 1.182 . . . . 0.0 110.995 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.491 ' HA3' ' CB ' ' A' ' 69' ' ' SER . . . 61.06 33.42 83.99 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -129.86 94.65 30.95 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.462 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.6 Cg_endo -74.98 173.74 13.99 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.789 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.489 ' H ' ' ND2' ' A' ' 77' ' ' ASN . 2.4 m-80 -49.93 111.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 109.245 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.43 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -71.15 86.05 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.474 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 24.3 mmt180 -100.59 -175.93 3.05 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.589 1.181 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -65.75 -43.68 88.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.29 -10.64 60.19 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.528 1.142 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.474 ' HB3' ' O ' ' A' ' 79' ' ' ARG . 1.2 t80 -80.52 -50.43 10.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.411 0.713 . . . . 0.0 111.089 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -65.9 -54.08 31.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.964 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -70.71 -16.14 62.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -78.11 -59.45 2.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.472 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.41 -26.26 63.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.554 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -87.1 -22.54 25.33 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.37 -21.73 61.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.55 ' HB ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -100.92 -41.57 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.362 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.429 ' N ' HD11 ' A' ' 89' ' ' ILE . 6.1 mm-40 -77.74 -26.91 50.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.389 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.554 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 0.4 OUTLIER -133.53 66.6 1.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 109.291 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.408 ' ND2' ' HB ' ' A' ' 95' ' ' VAL . 8.6 p30 -67.15 140.96 95.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.593 1.183 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.85 -41.62 0.68 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.543 1.812 . . . . 0.0 111.069 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.8 m -142.64 79.27 1.65 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.408 ' HB ' ' ND2' ' A' ' 92' ' ' ASN . 3.6 p -56.53 98.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -35.18 79.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -150.27 106.01 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.322 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.76 164.63 16.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.973 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -71.65 -72.04 0.97 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.949 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.608 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.409 0 O-C-N 124.499 0.764 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mtm . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.448 0.166 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 p -169.89 125.49 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.958 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.82 165.32 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.593 1.183 . . . . 0.0 110.214 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m -110.8 137.76 48.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.614 1.196 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -63.13 152.7 36.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.18 . . . . 0.0 109.341 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.522 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -64.43 -177.35 0.29 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 110.347 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.14 -71.3 0.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' C ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -115.2 -24.86 8.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.285 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.522 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 0.9 OUTLIER -81.15 112.42 18.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 110.213 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.55 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 4.0 p90 -141.01 124.22 16.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.2 179.44 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.476 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 2.4 t -52.21 149.3 5.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 108.296 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.08 2.39 90.58 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.513 1.133 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.513 ' OD2' ' CZ ' ' A' ' 6' ' ' ARG . 13.8 t70 -92.81 136.29 33.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.647 0.851 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.451 ' CD2' ' O ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -99.79 137.22 38.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.477 ' CG2' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -154.04 177.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.224 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -93.1 116.18 28.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.489 ' CB ' ' CD1' ' A' ' 63' ' ' LEU . . . -102.63 125.32 49.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 2.6 tttm -108.69 142.76 38.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.487 ' O ' ' O ' ' A' ' 23' ' ' TYR . 3.0 ttp -130.19 154.02 47.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -56.76 124.76 19.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.59 -19.05 34.69 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.726 ' CE2' ' CD2' ' A' ' 26' ' ' TRP . 2.1 t80 -115.99 134.54 22.73 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 169.99 21.39 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.026 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -45.68 121.04 2.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.554 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.726 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -124.3 145.14 47.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.711 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.5 Cg_endo -74.89 106.32 2.25 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.442 1.759 . . . . 0.0 111.061 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.515 ' CB ' ' HA ' ' A' ' 49' ' ' PHE . . . -128.34 157.9 39.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 5.7 ptt180 -99.27 150.99 21.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.527 HD13 ' CE2' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -78.72 145.18 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.222 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.428 ' N ' HD11 ' A' ' 30' ' ' ILE . 1.0 OUTLIER -150.99 147.11 26.74 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -106.05 163.09 13.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.369 1.043 . . . . 0.0 110.283 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.73 134.72 75.25 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.999 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 163.8 34.52 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.514 1.797 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -144.04 31.41 1.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.399 1.062 . . . . 0.0 110.375 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.35 -62.89 1.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.05 -56.06 26.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.9 m -137.77 177.17 5.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.03 99.16 8.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.27 -176.74 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.998 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.5 p -117.41 134.48 54.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.66 123.38 28.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.6 p30 171.22 -33.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.51 168.94 10.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.603 1.189 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.527 ' CE2' HD13 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -122.17 144.61 48.84 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.395 1.059 . . . . 0.0 111.005 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.63 140.93 31.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.1 t -137.54 132.1 44.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.603 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -109.46 107.46 17.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.042 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.515 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 5.8 m-85 -76.52 119.39 20.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 29' ' ' ARG . 49.0 m-85 -72.8 -31.49 64.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.431 ' HA3' ' NE1' ' A' ' 26' ' ' TRP . . . -59.33 -56.99 22.06 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 111.072 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.3 p -87.79 -23.12 24.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 110.373 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 49' ' ' PHE . 8.4 t-160 72.19 40.21 0.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.405 1.066 . . . . 0.0 109.65 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -133.75 155.45 49.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.426 1.079 . . . . 0.0 110.23 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.603 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 2.3 m -97.48 116.03 28.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.395 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.58 150.19 33.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.618 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 41.0 p90 -86.4 109.66 19.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 0.0 111.025 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.5 mt -134.46 176.75 8.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.162 . . . . 0.0 109.275 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.08 -162.57 12.38 Favored Glycine 0 CA--C 1.528 0.904 0 O-C-N 124.614 1.197 . . . . 0.0 111.067 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.416 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -75.01 -33.12 4.8 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.419 1.747 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -38.26 87.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.05 -10.22 59.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.489 ' CD1' ' CB ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -113.98 116.63 29.52 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.407 1.067 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.414 ' HB2' ' NE2' ' A' ' 25' ' ' HIS . 1.5 m-85 -122.3 148.86 53.44 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 167.57 26.75 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.505 1.792 . . . . 0.0 110.962 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.561 ' CE2' ' HD2' ' A' ' 70' ' ' LYS . 8.8 t80 -70.66 -38.09 73.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.169 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.0 -50.23 61.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.563 1.164 . . . . 0.0 110.264 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 71' ' ' GLU . 1.4 mt-10 -65.9 -47.92 73.19 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 74' ' ' GLY . 0.3 OUTLIER -51.99 -53.1 45.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.563 1.164 . . . . 0.0 109.943 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.561 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -62.34 -23.4 66.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 4.1 tt0 -60.84 -44.05 97.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.44 -66.7 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 3.0 p90 -133.09 -52.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 111.037 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 69.72 1.59 31.94 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.531 1.145 . . . . 0.0 111.087 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -133.13 98.22 15.84 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.474 0.749 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.47 11.19 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.059 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.639 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 1.4 m-80 -48.34 117.07 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.612 1.195 . . . . 0.0 109.221 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.673 ' CD ' ' CZ ' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -73.33 75.82 1.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.592 1.182 . . . . 0.0 109.235 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.489 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 13.1 mmt180 -90.75 -173.67 3.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -66.58 -63.4 1.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -61.79 -11.69 31.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.107 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.673 ' CZ ' ' CD ' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -78.52 -38.81 39.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.594 0.82 . . . . 0.0 111.057 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.3 t -74.24 -58.13 3.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.575 1.172 . . . . 0.0 110.066 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 88' ' ' GLU . 4.8 pt-20 -63.64 -30.88 71.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.59 1.181 . . . . 0.0 110.341 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.77 -53.7 18.49 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.578 1.174 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.527 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -61.18 -28.18 68.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.759 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.561 ' CD1' ' ND2' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -87.03 -21.55 26.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 107.921 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' GLU . 5.2 mt-10 -70.19 -27.09 64.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.467 ' HB ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -95.21 -43.94 13.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.436 ' N ' HD11 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -73.58 -30.99 63.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.343 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.561 ' ND2' ' CD1' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -133.88 69.33 1.47 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -64.94 151.74 92.56 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.56 1.163 . . . . 0.0 109.365 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -32.8 4.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 111.026 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.437 ' CG2' ' O ' ' A' ' 94' ' ' THR . 8.8 t -127.28 92.59 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 110.39 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.7 p -82.52 175.35 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -163.94 -43.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -42.04 102.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 109.367 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.7 m -51.52 -58.12 7.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.42 1.075 . . . . 0.0 110.048 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.09 103.11 2.98 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.618 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.573 0.808 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 tpt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.501 0.191 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -158.37 170.56 21.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.79 155.6 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.349 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.6 p -106.41 137.22 44.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' A' ' 6' ' ' ARG . 0.3 OUTLIER -118.4 -170.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.491 ' CD ' ' HB3' ' A' ' 9' ' ' GLU . 10.6 ptp180 -72.34 156.98 38.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 110.378 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.603 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 0.8 OUTLIER -60.62 -126.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.543 ' C ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -81.17 12.06 3.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.396 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.491 ' HB3' ' CD ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -54.62 133.95 46.72 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.414 1.072 . . . . 0.0 110.304 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.541 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 5.0 p90 -147.54 120.94 9.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 111.055 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 14' ' ' ASP . 2.9 mtpt -128.62 173.43 10.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.476 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 0.6 OUTLIER -46.95 141.27 4.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 108.276 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.02 -2.71 88.15 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 7.9 t70 -88.04 141.15 28.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 0.732 . . . . 0.0 109.39 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -103.3 141.51 35.79 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 0.0 109.254 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.426 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -155.25 178.29 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -91.88 116.12 28.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.396 1.06 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.612 ' CB ' ' CD1' ' A' ' 63' ' ' LEU . . . -112.36 131.27 55.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.427 ' HB3' ' ND1' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -120.24 155.39 33.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.35 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.55 164.46 26.58 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -57.03 118.23 4.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.378 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.0 -18.88 29.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.438 1.086 . . . . 0.0 111.041 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -103.03 132.44 21.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.599 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -75.04 154.59 42.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.489 ' CE1' ' HB2' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -42.92 111.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.638 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.624 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -114.75 153.61 46.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 107.948 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 103.61 1.76 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.55 1.816 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.98 149.71 45.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -92.68 160.51 14.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.58 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -86.65 145.69 7.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.391 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.44 ' N ' HD12 ' A' ' 30' ' ' ILE . 1.0 OUTLIER -156.49 151.23 25.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.155 . . . . 0.0 109.329 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.444 ' O ' ' NE2' ' A' ' 46' ' ' GLN . 1.4 tt0 -90.19 143.15 27.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.419 ' SD ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -73.23 145.22 85.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 111.003 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 165.1 31.98 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.39 1.732 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -139.12 26.59 2.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.2 -48.31 2.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.13 -47.8 33.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.4 m -143.11 177.27 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.338 1.024 . . . . 0.0 109.316 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.05 157.23 17.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 p -92.96 165.32 12.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.03 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 57.0 p -120.21 -171.9 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.75 133.99 54.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.418 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 3.4 p-10 40.54 82.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.373 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.419 ' O ' ' SD ' ' A' ' 33' ' ' MET . 14.7 tttp -144.91 128.23 16.83 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.58 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -134.56 152.35 51.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 32' ' ' GLU . 5.7 tt0 -91.39 141.54 28.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.174 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.16 146.01 29.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.281 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.592 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -118.21 107.37 13.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 111.064 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.45 ' CE1' ' HB1' ' A' ' 18' ' ' ALA . 3.4 m-85 -77.65 127.97 33.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.562 1.164 . . . . 0.0 111.057 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 20.1 m-85 -81.27 -57.2 3.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.48 -48.49 2.99 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.18 -30.31 16.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.747 . . . . 0.0 110.366 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 42.9 t60 74.41 38.69 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.611 1.194 . . . . 0.0 109.593 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -131.57 149.17 52.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.259 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.592 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 2.8 m -94.49 112.77 24.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.433 1.083 . . . . 0.0 110.384 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -116.73 147.68 41.79 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.599 1.187 . . . . 0.0 109.285 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 5.1 p90 -84.53 121.96 28.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.437 ' HB3' ' CB ' ' A' ' 62' ' ' ASP . 82.9 mt -140.91 174.81 10.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.17 . . . . 0.0 109.242 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -116.38 -159.39 11.74 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -38.72 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -62.37 -42.87 99.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.615 1.197 . . . . 0.0 109.304 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.437 ' CB ' ' HB3' ' A' ' 58' ' ' LEU . 1.9 m-20 -63.56 -24.32 67.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.612 ' CD1' ' CB ' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -98.01 145.46 26.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.391 1.057 . . . . 0.0 109.312 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.489 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -137.98 138.84 24.4 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 110.973 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.409 ' O ' ' OG ' ' A' ' 69' ' ' SER . 17.9 Cg_endo -75.11 173.95 13.62 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.438 1.757 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.44 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -80.93 -31.44 35.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.901 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 2.5 tt0 -71.25 -43.94 66.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -75.53 -48.17 23.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.579 1.174 . . . . 0.0 110.199 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 74' ' ' GLY . 87.4 p -55.24 -47.16 75.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -69.75 -23.81 63.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 67' ' ' GLU . 8.9 tt0 -59.69 -43.96 93.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.234 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -93.74 -67.81 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 109.348 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -132.64 -66.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 72.99 0.61 52.74 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.587 1.18 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -128.15 95.37 33.99 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 174.47 12.74 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.462 1.77 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.597 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 4.5 m-80 -49.57 133.01 21.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.548 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -84.27 84.55 7.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.492 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 9.7 mmt-85 -96.57 -174.44 3.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.347 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -68.79 -50.67 48.35 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.445 1.091 . . . . 0.0 109.257 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -71.04 -7.2 62.03 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.417 1.073 . . . . 0.0 110.989 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.624 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 2.0 t80 -82.97 -46.01 13.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.763 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.6 OUTLIER -66.96 -54.53 21.02 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 88' ' ' GLU . 6.5 pt-20 -69.08 -31.86 70.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 110.318 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.23 -52.44 36.25 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.502 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -62.36 -28.16 69.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 0.782 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.526 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -86.28 -20.75 27.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 108.017 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.9 OUTLIER -72.39 -25.81 61.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.565 ' HB ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -97.55 -41.33 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.433 ' N ' HD12 ' A' ' 89' ' ' ILE . 6.3 mt-10 -76.78 -31.31 56.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.539 ' ND2' ' N ' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -133.4 72.34 1.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.377 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.466 ' CB ' ' HB ' ' A' ' 95' ' ' VAL . 0.8 OUTLIER -64.36 156.71 75.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.251 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -55.51 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.5 m -150.34 49.24 0.89 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.377 1.048 . . . . 0.0 110.352 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.466 ' HB ' ' CB ' ' A' ' 92' ' ' ASN . 41.3 t -94.65 138.5 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -120.65 -40.91 2.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.0 97.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.2 p -154.36 168.17 27.51 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.428 1.08 . . . . 0.0 109.968 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -155.11 149.88 21.23 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.586 1.179 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.606 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 110.932 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.406 0.146 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m -131.55 109.61 10.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.597 1.186 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 138.02 39.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 110.264 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.7 p -109.55 117.04 32.91 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.446 1.091 . . . . 0.0 109.963 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 6' ' ' ARG . 13.8 p-10 -107.48 -175.99 2.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.427 ' O ' ' ND2' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -106.86 -178.57 3.69 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.54 1.15 . . . . 0.0 110.329 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -111.9 -42.41 3.79 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -140.58 -36.92 0.46 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.405 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' N ' ' HG2' ' A' ' 8' ' ' LYS . 10.8 pt-20 -63.58 103.4 0.53 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.547 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 8.4 p90 -116.52 123.58 47.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.421 1.076 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 12' ' ' CYS . 0.4 OUTLIER -139.51 -179.91 6.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.422 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 5.6 t -41.35 146.41 0.21 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.123 . . . . 0.0 108.28 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.52 -1.06 88.45 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.558 1.161 . . . . 0.0 111.032 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -88.07 131.03 34.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 0.753 . . . . 0.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 16' ' ' VAL . 0.4 OUTLIER -100.86 135.82 41.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.471 ' CG2' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -157.01 178.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -91.7 117.97 30.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.27 138.92 31.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.557 1.161 . . . . 0.0 109.22 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 8.0 tptt -132.35 119.53 20.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.569 1.168 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.5 ttt -134.42 168.13 19.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -57.14 136.46 56.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.7 9.27 12.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.604 ' CE1' ' HB2' ' A' ' 26' ' ' TRP . 16.4 t80 -128.47 114.62 19.64 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.478 0.752 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.579 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -75.01 156.44 42.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.537 ' CE1' ' HB2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -46.25 116.4 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.337 1.023 . . . . 0.0 109.584 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.615 ' CZ2' ' HB2' ' A' ' 82' ' ' PHE . 0.7 OUTLIER -132.29 159.04 73.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.574 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -74.92 102.73 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.477 1.777 . . . . 0.0 111.008 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.44 148.8 44.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.551 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 14.3 ttt180 -101.56 138.19 38.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.356 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.48 HD12 ' CD1' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -65.49 149.11 11.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.376 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -150.99 153.49 35.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 109.255 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.45 ' O ' ' NE2' ' A' ' 46' ' ' GLN . 9.8 tt0 -107.35 167.52 9.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.537 1.148 . . . . 0.0 110.361 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.07 137.44 72.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.09 167.53 26.76 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.43 1.753 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -146.07 29.52 1.08 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.49 1.119 . . . . 0.0 110.243 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.16 -57.46 2.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.413 1.07 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.8 -58.49 4.94 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.8 m -136.16 177.16 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 109.358 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.58 76.6 1.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.35 165.79 0.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.3 p -92.09 125.22 36.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.452 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.54 124.01 29.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.2 p30 169.78 -32.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 109.239 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -108.77 177.05 4.89 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.48 ' CD1' HD12 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -117.25 152.24 35.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.979 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 31' ' ' ASP . 1.3 tt0 -94.86 135.86 35.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.407 1.067 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.484 HG11 ' CZ ' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -119.74 139.48 46.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.505 1.128 . . . . 0.0 109.377 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.22 103.12 6.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.484 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 3.5 m-85 -76.81 121.86 23.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 29' ' ' ARG . 3.0 m-85 -77.22 -59.41 2.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.31 -56.56 2.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.4 p -80.69 -29.52 36.51 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 0.773 . . . . 0.0 110.4 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 74.44 38.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.533 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.04 179.08 4.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.78 161.79 36.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -174.23 179.53 1.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.581 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 42.6 p90 -111.96 105.39 13.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 111.065 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.451 ' HB3' ' CB ' ' A' ' 62' ' ' ASP . 71.4 mt -123.17 177.44 5.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.365 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.2 -157.56 10.6 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.415 1.072 . . . . 0.0 111.054 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -75.05 -43.07 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.95 -43.21 86.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.451 ' CB ' ' HB3' ' A' ' 58' ' ' LEU . 1.7 m-20 -64.81 -12.03 43.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -112.72 116.66 30.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.499 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -110.87 138.36 21.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.86 170.06 21.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.477 1.777 . . . . 0.0 110.977 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.581 ' CE2' ' HD2' ' A' ' 70' ' ' LYS . 17.3 t80 -82.17 -40.24 22.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 111.065 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.9 -51.92 53.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 110.26 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.21 -47.0 69.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.461 ' HB2' ' CA ' ' A' ' 74' ' ' GLY . 19.7 p -54.9 -50.44 68.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.073 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.581 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -68.94 -15.92 63.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -44.18 74.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -106.38 -68.13 0.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' SER . 8.4 m-85 -133.06 -85.56 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 111.054 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.461 ' CA ' ' HB2' ' A' ' 69' ' ' SER . . . 72.08 18.86 78.13 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.077 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.57 93.75 47.72 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.568 0.805 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.497 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.3 Cg_endo -74.95 173.94 13.63 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.442 1.759 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.496 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 5.0 m-80 -49.27 125.83 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.502 ' HD3' ' CD1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -81.26 86.41 6.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.411 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.519 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 22.5 mmt180 -99.93 -174.76 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 110.279 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -68.26 -47.68 67.08 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.417 1.073 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.64 -7.36 69.06 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.615 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 1.8 t80 -82.39 -47.51 12.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 0.731 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 47.3 t -66.99 -53.48 31.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.441 1.088 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 88' ' ' GLU . 5.7 pt-20 -69.29 -31.39 69.85 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.34 -54.96 20.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 0.0 111.083 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.535 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -59.65 -28.35 67.17 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.41 0.712 . . . . 0.0 109.354 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.527 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -86.24 -21.37 27.45 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.4 OUTLIER -72.14 -24.23 61.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.517 ' C ' ' CD1' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -99.74 -43.68 11.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.403 ' N ' HD12 ' A' ' 89' ' ' ILE . 10.3 mm-40 -74.32 -30.17 61.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.533 ' ND2' ' N ' ' A' ' 91' ' ' ASN . 0.4 OUTLIER -132.96 69.9 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -74.0 144.21 81.95 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.14 -35.95 2.75 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.9 m -140.72 81.0 1.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.557 1.16 . . . . 0.0 110.408 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.9 p -58.35 99.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.21 -32.94 74.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -152.53 166.15 32.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.84 -61.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.023 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -88.72 -151.87 24.3 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.569 1.168 . . . . 0.0 111.049 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.609 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.435 0.726 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 tmm? . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.502 0.191 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.2 p -174.76 109.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.969 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.5 ptt-85 -61.59 148.66 41.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.83 116.34 31.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 110.031 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -83.0 174.69 10.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.216 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.493 ' CZ ' ' OD1' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -85.53 -178.99 6.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.475 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 1.4 pm0 -109.23 -43.09 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.499 ' HG2' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -140.69 -36.11 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.085 . . . . 0.0 109.344 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.499 ' N ' ' HG2' ' A' ' 8' ' ' LYS . 16.4 pt-20 -70.17 104.07 2.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.255 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -138.46 139.48 38.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -136.41 -179.75 5.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 11' ' ' LYS . 29.9 p -40.73 145.71 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 108.327 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.09 -1.24 86.51 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.493 ' OD1' ' CZ ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -76.92 135.34 38.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 0.785 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.443 HD13 ' N ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -111.87 133.97 53.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.496 ' CG1' ' HG ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -164.2 178.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.505 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 3.0 m-85 -93.39 108.82 20.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.478 ' CB ' ' CD1' ' A' ' 63' ' ' LEU . . . -89.44 144.63 25.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.482 ' HD3' ' CG ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -115.53 136.93 52.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.469 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -126.26 150.6 48.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 110.98 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.59 124.58 17.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.396 1.06 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.2 -19.23 28.02 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.611 ' OH ' ' CZ2' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -113.71 131.82 22.88 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 110.994 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 175.34 11.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.505 ' CD2' ' HB2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -43.74 121.18 2.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.606 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.692 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.5 OUTLIER -130.4 144.69 54.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.692 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -75.07 108.22 2.66 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.553 1.817 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.489 ' CB ' ' HA ' ' A' ' 49' ' ' PHE . . . -133.21 158.97 41.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -102.25 160.37 14.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.585 ' CD1' ' CE1' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -88.24 149.8 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -158.01 150.17 22.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.76 148.1 25.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.71 113.52 23.63 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 111.002 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.88 12.02 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.431 1.753 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -139.26 29.68 2.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.337 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.19 -57.11 2.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.235 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.28 -52.62 45.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 m -139.09 177.06 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.7 128.91 42.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.1 p -104.57 176.95 4.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.937 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.9 p -120.07 -178.72 3.73 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.521 1.138 . . . . 0.0 110.348 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -93.19 179.75 5.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.093 . . . . 0.0 109.227 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.1 p30 40.46 67.33 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.41 141.53 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.367 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.585 ' CE1' ' CD1' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -125.68 150.0 48.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.947 -179.896 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 31' ' ' ASP . 24.5 tt0 -97.36 133.97 41.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.3 t -126.74 134.2 66.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.571 ' CE1' ' HB ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -108.25 104.35 13.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.489 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 2.6 m-85 -74.45 115.69 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -80.8 -9.82 59.78 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.579 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . -76.2 -57.06 4.12 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.557 1.161 . . . . 0.0 110.963 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 57.6 p -86.54 -14.77 42.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.43 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.8 t60 74.29 37.44 0.59 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.632 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -141.52 160.13 40.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.571 ' HB ' ' CE1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -107.31 135.4 48.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.499 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.97 162.45 30.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.505 ' CG ' ' O ' ' A' ' 57' ' ' PHE . 6.4 p90 -81.36 126.57 31.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.179 . . . . 0.0 111.069 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.423 ' HB3' ' CB ' ' A' ' 62' ' ' ASP . 87.7 mt -152.2 178.23 9.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.355 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.88 -154.7 8.35 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.391 1.057 . . . . 0.0 111.032 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -41.13 0.7 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.382 1.727 . . . . 0.0 111.02 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.3 tptt -57.94 -48.47 79.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.423 ' CB ' ' HB3' ' A' ' 58' ' ' LEU . 11.8 m-20 -56.13 -30.72 62.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.603 1.189 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.496 ' HG ' ' CG1' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -91.62 117.58 29.86 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.432 ' O ' HG12 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -123.45 137.61 28.78 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.972 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.485 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 18.2 Cg_endo -75.04 169.86 21.68 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.45 1.763 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.524 ' CZ ' ' HD2' ' A' ' 70' ' ' LYS . 6.0 t80 -73.26 -36.19 66.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.7 -48.7 74.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.157 . . . . 0.0 110.321 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.25 -48.13 37.38 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.576 1.172 . . . . 0.0 110.334 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 74' ' ' GLY . 3.2 t -52.07 -51.4 57.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.524 ' HD2' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -65.64 -27.16 68.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -56.31 -41.49 76.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.613 ' HG3' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -102.93 -59.59 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.239 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.613 ' CD2' ' HG3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -127.71 -76.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 82.44 -3.32 82.48 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.65 97.66 15.57 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.763 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.445 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.2 Cg_endo -75.07 175.33 11.39 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.478 1.778 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.659 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 0.9 OUTLIER -48.91 118.95 2.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.589 ' HG3' ' CE1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -72.9 75.85 1.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.085 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.421 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 7.4 mmm180 -96.49 -176.01 3.5 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.41 1.068 . . . . 0.0 110.346 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -64.77 -73.73 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.599 1.187 . . . . 0.0 109.352 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.02 -17.91 4.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.659 ' CD2' ' O ' ' A' ' 77' ' ' ASN . 0.1 OUTLIER -74.01 -35.2 64.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 110.972 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.551 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 3.7 t -76.47 -57.68 3.72 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 5.3 pt-20 -65.54 -10.22 33.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.76 -64.37 1.68 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.105 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.551 ' CD1' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -58.7 -22.99 58.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.484 ' N ' HD13 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -87.53 -28.15 22.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 107.988 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 0.5 OUTLIER -67.11 -23.43 65.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.367 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.515 ' C ' ' CD1' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -99.26 -43.99 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.404 ' N ' HD11 ' A' ' 89' ' ' ILE . 18.6 mt-10 -70.67 -32.77 70.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.514 ' ND2' ' N ' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -133.3 67.59 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.238 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -68.17 131.34 92.11 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 -41.16 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.427 1.751 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.0 m -131.85 76.31 1.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 110.415 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.3 p -59.47 121.1 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.401 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.25 -33.39 13.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.78 87.25 3.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.2 p -137.83 157.54 46.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.944 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -152.1 -120.73 0.88 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.432 1.083 . . . . 0.0 111.061 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.612 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.768 . . . . 0.0 110.945 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.504 0.193 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.0 p -140.68 151.97 44.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.061 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -99.3 133.97 42.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.1 p -114.25 169.7 8.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.583 1.177 . . . . 0.0 110.018 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 6' ' ' ARG . 1.6 p-10 -86.2 172.29 10.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.487 ' HB2' ' CG ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -62.57 -176.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.327 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.416 ' CG ' ' HD3' ' A' ' 8' ' ' LYS . 1.8 pm0 -109.98 -40.6 4.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -140.12 -40.2 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.487 ' CG ' ' HB2' ' A' ' 6' ' ' ARG . 10.4 pt-20 -60.19 80.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 110.252 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.594 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -76.59 139.31 40.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 0.0 111.004 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.429 ' HD3' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -150.09 179.01 8.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.429 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 1.7 t -41.63 130.09 3.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 108.274 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.95 -14.37 34.22 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.417 1.073 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.8 144.87 25.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.74 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.42 ' CD2' ' N ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -118.15 140.32 49.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.44 ' CG2' ' HA ' ' A' ' 65' ' ' PRO . 0.4 OUTLIER -155.24 178.76 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.452 ' O ' ' NE2' ' A' ' 25' ' ' HIS . 47.3 m-85 -91.69 115.28 27.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.53 ' CB ' ' CD2' ' A' ' 63' ' ' LEU . . . -107.09 128.47 54.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.554 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -117.94 143.5 46.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -128.48 160.2 33.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -56.87 119.41 6.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.31 -20.0 43.43 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.407 1.067 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.406 ' O ' ' O ' ' A' ' 20' ' ' MET . 6.1 t80 -112.82 132.14 22.43 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.564 0.803 . . . . 0.0 111.083 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.592 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.1 Cg_endo -75.0 156.96 43.01 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.37 1.721 . . . . 0.0 111.001 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.554 ' CD2' ' HB3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -42.91 111.54 0.27 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.595 1.185 . . . . 0.0 109.582 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.624 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -115.45 158.01 42.63 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.49 1.119 . . . . 0.0 107.99 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 103.13 1.68 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.483 1.781 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.86 147.46 46.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.432 1.082 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.563 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 2.7 ttt180 -94.25 160.25 14.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.361 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.574 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -89.86 144.09 9.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.441 ' N ' HD12 ' A' ' 30' ' ' ILE . 3.1 m-20 -155.85 149.51 25.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -105.96 153.69 21.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.209 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.92 116.67 54.44 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.147 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 158.67 41.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -134.35 42.34 2.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.45 -70.59 0.73 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.51 1.131 . . . . 0.0 109.228 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.37 -40.0 70.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.372 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.3 m -143.21 176.45 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.42 1.075 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.05 133.85 51.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.38 170.98 14.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 p -111.27 171.25 7.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.447 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . -104.01 121.89 44.11 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.564 1.165 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 6.9 m-80 -163.49 -43.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.46 178.02 5.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.574 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -119.66 152.43 37.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.604 1.19 . . . . 0.0 111.046 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.413 ' O ' ' O ' ' A' ' 31' ' ' ASP . 17.1 tt0 -89.73 139.53 30.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.4 t -131.7 137.57 54.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.605 1.191 . . . . 0.0 109.347 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.584 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -113.7 109.57 18.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.638 1.211 . . . . 0.0 110.953 -179.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 53' ' ' HIS . 12.7 m-85 -78.93 117.47 20.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 29' ' ' ARG . 44.8 m-85 -71.54 -58.62 3.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.6 -56.44 2.48 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.403 ' CG2' ' OH ' ' A' ' 23' ' ' TYR . 59.7 p -81.72 -31.19 32.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.388 0.699 . . . . 0.0 110.409 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.2 OUTLIER 74.82 38.0 0.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.64 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -130.7 147.7 52.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 110.367 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.584 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 1.1 m -96.04 115.87 28.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.162 . . . . 0.0 110.4 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -121.17 156.28 32.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.353 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.492 ' O ' ' CG ' ' A' ' 57' ' ' PHE . 9.1 p90 -83.59 126.82 33.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.613 1.196 . . . . 0.0 111.039 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.441 ' CD2' ' CG ' ' A' ' 62' ' ' ASP . 47.1 mt -150.27 177.53 9.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.075 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.86 -159.67 9.48 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.158 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.4 Cg_endo -74.94 -28.82 8.95 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.557 1.82 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 62' ' ' ASP . 47.6 pttt -69.1 -46.07 68.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.148 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.441 ' CG ' ' CD2' ' A' ' 58' ' ' LEU . 1.4 m-20 -71.35 -6.95 43.87 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.53 ' CD2' ' CB ' ' A' ' 18' ' ' ALA . 13.8 mt -112.52 141.23 46.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.238 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.456 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -140.27 140.33 23.07 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.388 1.055 . . . . 0.0 110.96 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.44 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 18.4 Cg_endo -75.04 170.55 20.16 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.79 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -79.04 -37.78 38.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -53.15 -50.63 64.17 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -48.1 65.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -56.55 -52.63 64.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.971 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -16.1 63.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.611 1.195 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -56.63 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.606 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -98.36 -66.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.347 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.606 ' CZ ' ' HG2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -132.25 -81.89 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.924 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.417 ' HA3' ' CB ' ' A' ' 69' ' ' SER . . . 70.78 8.59 64.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.414 1.071 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.5 94.17 30.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.464 0.743 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.81 12.15 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.401 1.737 . . . . 0.0 110.956 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.583 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 2.0 m-80 -50.05 139.67 13.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.589 ' CD ' ' CE1' ' A' ' 82' ' ' PHE . 1.6 tppt? -92.35 87.9 6.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.463 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 21.3 mmt180 -99.83 -176.21 3.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.413 1.071 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -43.17 78.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.359 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -75.21 -10.3 84.27 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.59 1.181 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.624 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 3.3 t80 -80.91 -42.68 21.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 111.062 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.1 p -75.2 -55.98 5.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.351 1.032 . . . . 0.0 109.974 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -61.22 -31.04 70.82 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.522 1.139 . . . . 0.0 110.219 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -72.11 -63.49 2.96 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.407 1.067 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.512 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -44.81 -26.21 0.38 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 0.748 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.693 ' CD1' ' OD1' ' A' ' 91' ' ' ASN . 12.1 t-105 -88.62 -43.03 11.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 108.025 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' GLY . 1.6 tm-20 -51.19 -20.85 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.552 ' C ' ' CD1' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -100.64 -36.88 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 87' ' ' TRP . 1.5 mt-10 -70.13 -9.78 56.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.693 ' OD1' ' CD1' ' A' ' 87' ' ' TRP . 0.0 OUTLIER -125.75 47.76 2.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 95' ' ' VAL . 9.8 p30 -58.05 155.28 25.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -39.26 1.26 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.49 1.784 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.462 ' CG2' ' O ' ' A' ' 94' ' ' THR . 9.7 t -116.97 87.92 2.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 110.352 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.451 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 12.4 p -87.46 137.72 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.163 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 97' ' ' ALA . 1.8 pttp -112.17 -30.99 7.01 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.431 ' N ' ' HG3' ' A' ' 96' ' ' LYS . . . -84.16 85.97 7.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.383 1.052 . . . . 0.0 109.238 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.3 p -54.12 151.04 7.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 110.064 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 170.34 -60.67 0.18 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.619 1.2 . . . . 0.0 111.092 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.614 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.523 0.778 . . . . 0.0 111.059 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.551 0.215 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.79 129.72 14.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.37 161.59 18.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 110.365 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.0 p -113.37 156.92 22.57 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.495 1.122 . . . . 0.0 110.075 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -81.1 174.87 11.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.536 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -114.76 -178.41 3.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.593 1.183 . . . . 0.0 110.343 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.496 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 1.7 pm0 -109.78 -42.73 4.19 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.486 ' CD ' ' HG2' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -141.67 -40.4 0.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.254 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.536 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -69.0 116.53 9.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 110.321 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.46 168.64 13.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.66 159.93 43.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.5 t -45.22 128.49 7.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 108.233 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.44 -20.33 40.07 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.406 1.066 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.461 ' OD1' ' NE ' ' A' ' 6' ' ' ARG . 16.1 t0 -55.86 168.93 0.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -136.1 129.95 32.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.325 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 64' ' ' PHE . 0.3 OUTLIER -151.41 177.53 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.58 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -92.48 114.36 26.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.981 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.58 ' HB1' ' CE1' ' A' ' 49' ' ' PHE . . . -98.21 144.88 27.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HD3' ' CG ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -123.57 138.23 54.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.367 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.441 ' O ' ' O ' ' A' ' 23' ' ' TYR . 1.4 ttt -131.44 151.69 51.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.586 1.179 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.62 123.6 14.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.579 1.175 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.49 -20.36 27.45 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.496 1.122 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.635 ' CE2' ' CD2' ' A' ' 26' ' ' TRP . 2.0 t80 -112.02 133.15 21.72 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.754 . . . . 0.0 111.042 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 175.94 10.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.543 1.812 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -51.11 111.18 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.649 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.663 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -118.77 142.46 31.79 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.516 1.135 . . . . 0.0 108.065 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.663 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.1 Cg_endo -75.06 112.02 3.46 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.495 ' O ' ' CD1' ' A' ' 15' ' ' LEU . . . -125.62 158.03 35.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.445 ' CG ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -98.96 139.98 33.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.342 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.424 ' N ' ' HG2' ' A' ' 29' ' ' ARG . 0.5 OUTLIER -74.98 148.95 7.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 124.634 1.209 . . . . 0.0 109.255 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 46' ' ' GLN . 2.6 m-20 -160.07 153.13 21.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 109.344 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.69 159.53 14.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.23 113.52 22.82 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 110.977 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 172.45 16.34 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.429 1.752 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -144.08 36.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 110.195 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.07 -66.36 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.02 -44.9 87.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.408 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.2 m -143.02 177.07 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.36 129.58 54.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.61 171.82 13.93 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.519 1.137 . . . . 0.0 110.071 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.3 p -115.3 177.3 4.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.46 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.51 130.91 49.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 p30 170.35 -33.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.1 170.91 9.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.47 142.1 47.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.483 ' HG3' ' CG2' ' A' ' 55' ' ' THR . 30.4 tt0 -90.73 114.49 26.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.253 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 48' ' ' PHE . 5.7 t -107.26 149.19 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.375 1.047 . . . . 0.0 109.358 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.411 ' N ' HG12 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -123.77 101.8 7.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 111.118 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.58 ' CE1' ' HB1' ' A' ' 18' ' ' ALA . 3.5 m-30 -70.9 125.14 26.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 111.068 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CE2' ' HB ' ' A' ' 89' ' ' ILE . 15.5 m-85 -74.97 -44.59 47.48 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.454 1.096 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.454 ' HA3' ' NE1' ' A' ' 26' ' ' TRP . . . -47.36 -56.86 7.72 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.44 1.088 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.0 p -85.91 -28.03 24.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 0.799 . . . . 0.0 110.39 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 74.44 38.95 0.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 109.58 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -131.3 155.15 47.68 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.588 1.18 . . . . 0.0 110.346 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.483 ' CG2' ' HG3' ' A' ' 46' ' ' GLN . 1.3 m -94.71 112.75 24.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.37 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.5 137.38 51.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.399 1.062 . . . . 0.0 109.234 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.628 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 44.1 p90 -69.56 108.82 3.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 111.04 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.461 HD13 ' CE1' ' A' ' 49' ' ' PHE . 60.1 mt -132.19 177.54 7.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.82 -160.27 9.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' A' ' 63' ' ' LEU . 17.9 Cg_endo -75.09 -44.63 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.534 1.807 . . . . 0.0 110.976 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -47.1 81.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.64 -19.97 65.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.179 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.515 HD22 ' CB ' ' A' ' 18' ' ' ALA . 15.7 mt -99.34 144.7 28.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.461 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -138.02 143.33 39.18 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 111.048 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 167.1 27.82 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.553 ' CE1' ' HG2' ' A' ' 70' ' ' LYS . 1.9 t80 -83.03 -36.33 25.06 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.569 1.168 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -50.63 63.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -63.79 -47.83 79.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.347 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.475 ' CB ' ' HA3' ' A' ' 74' ' ' GLY . 0.9 OUTLIER -60.31 -49.26 78.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.405 1.066 . . . . 0.0 109.978 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.553 ' HG2' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -70.42 -8.81 53.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.45 -46.62 26.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.232 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt -106.03 -68.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 69' ' ' SER . 9.1 m-85 -132.81 -81.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 111.05 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.475 ' HA3' ' CB ' ' A' ' 69' ' ' SER . . . 67.41 26.95 73.49 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.83 90.82 41.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 0.759 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.405 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.3 Cg_endo -74.86 175.24 11.46 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.576 1.829 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.623 ' O ' ' CE2' ' A' ' 82' ' ' PHE . 29.4 m-80 -49.8 172.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -129.57 90.39 2.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -102.01 -176.12 3.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -69.64 -55.34 10.31 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.2 -7.16 43.32 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.51 1.132 . . . . 0.0 111.048 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.623 ' CE2' ' O ' ' A' ' 77' ' ' ASN . 7.0 t80 -83.65 -47.94 10.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 0.737 . . . . 0.0 111.063 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.19 -53.83 43.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.024 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 88' ' ' GLU . 4.8 pt-20 -63.02 -30.76 71.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 110.247 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.407 ' O ' HG23 ' A' ' 89' ' ' ILE . . . -65.56 -60.84 6.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.504 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -55.84 -28.12 54.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.763 . . . . 0.0 109.28 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.564 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -84.36 -23.95 29.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 108.006 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 84' ' ' GLU . 3.9 mm-40 -70.7 -23.05 62.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.247 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.57 ' HB ' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -100.0 -45.23 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.445 ' N ' HD12 ' A' ' 89' ' ' ILE . 12.6 mt-10 -74.61 -27.48 60.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.402 1.064 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.587 ' N ' HD21 ' A' ' 91' ' ' ASN . 0.3 OUTLIER -134.01 58.98 1.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.404 1.065 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 95' ' ' VAL . 7.9 p30 -60.88 159.45 26.66 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.228 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -46.97 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.568 1.825 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 94' ' ' THR . 12.7 t -108.21 86.23 2.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.417 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.472 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 13.6 p -89.59 135.85 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 97' ' ' ALA . 0.1 OUTLIER -111.67 -31.52 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 109.328 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.437 ' N ' ' HG3' ' A' ' 96' ' ' LYS . . . -61.61 143.24 56.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.165 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.65 162.71 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -159.18 -58.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.43 1.082 . . . . 0.0 110.965 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.619 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.536 0.786 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.496 0.188 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 p -144.52 148.17 34.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.21 122.22 29.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.8 p -114.12 168.33 9.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.597 1.185 . . . . 0.0 110.043 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -57.34 170.53 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.519 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -73.52 -178.49 3.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.452 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 1.6 pm0 -113.26 -41.73 3.64 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.63 -38.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.519 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 5.0 pt-20 -75.87 117.21 17.36 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.428 1.08 . . . . 0.0 110.337 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.575 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 6.1 p90 -136.25 120.07 17.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -136.68 -179.43 5.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.181 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.465 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -41.07 142.82 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 108.275 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.52 2.45 76.27 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.568 1.168 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.45 ' OD1' ' NE ' ' A' ' 6' ' ' ARG . 1.5 t70 -102.44 127.98 49.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 0.776 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.488 ' CD2' ' N ' ' A' ' 16' ' ' VAL . 0.2 OUTLIER -108.72 132.06 54.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.488 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -150.27 179.89 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.228 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -91.31 121.2 32.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.421 1.075 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.502 ' CB ' HD11 ' A' ' 63' ' ' LEU . . . -127.14 141.49 51.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.217 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.559 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -113.17 158.31 20.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.369 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.418 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -130.29 159.1 37.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.32 118.65 5.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.96 -17.92 43.2 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.562 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 2.7 t80 -110.73 137.25 20.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.574 0.808 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.588 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.1 Cg_endo -75.07 156.86 42.72 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.402 1.738 . . . . 0.0 110.973 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.559 ' CD2' ' HB3' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -42.4 111.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.574 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.596 ' CZ2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -116.7 157.1 46.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 107.989 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 103.82 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.429 1.752 . . . . 0.0 110.964 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 16' ' ' VAL . . . -121.86 142.81 49.87 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.458 1.099 . . . . 0.0 109.239 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.3 ttp85 -98.85 140.51 32.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.339 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.465 ' CG2' ' HA ' ' A' ' 12' ' ' CYS . 0.2 OUTLIER -63.26 145.82 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -158.64 145.79 17.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -95.49 158.72 15.33 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.97 113.48 23.62 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 133.22 16.41 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.56 1.821 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -100.8 38.23 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.32 -56.55 2.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.11 -42.34 80.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 m -143.24 171.97 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.29 64.51 0.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.347 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.17 177.8 0.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.574 1.171 . . . . 0.0 109.966 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.5 m -113.63 171.37 7.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.43 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -103.65 127.75 51.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.249 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.6 p30 167.25 -32.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.96 173.02 7.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.587 ' CE2' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -118.8 134.97 54.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.504 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 33.7 tt0 -75.05 115.37 14.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.536 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 14.6 p -94.78 136.95 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.448 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -113.94 97.73 6.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.041 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -78.92 122.01 25.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 6.8 m-85 -79.69 -56.53 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -40.13 -55.79 2.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.5 p -78.75 -28.96 44.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 0.804 . . . . 0.0 110.373 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 74.31 37.48 0.58 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.54 1.15 . . . . 0.0 109.582 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -137.49 163.86 30.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.559 1.162 . . . . 0.0 110.247 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.448 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -105.24 159.44 15.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.471 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.407 ' HB2' ' CG1' ' A' ' 47' ' ' VAL . . . -155.61 -179.12 7.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -119.83 101.3 7.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.46 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 50.3 mt -129.02 179.64 5.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.2 -167.78 12.78 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -18.62 18.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 0.0 110.997 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -72.66 -25.46 61.28 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -97.28 2.15 50.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.587 HD21 ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -111.24 137.82 48.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -140.14 131.67 14.38 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.489 1.118 . . . . 0.0 110.922 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 169.8 21.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.547 1.814 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -63.66 -36.2 83.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -62.27 -50.65 70.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.261 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.508 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 0.6 OUTLIER -68.26 -49.14 62.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.528 ' O ' ' N ' ' A' ' 74' ' ' GLY . 1.4 p -55.76 -53.39 57.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.944 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -18.83 64.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 9.5 tt0 -62.88 -49.97 72.75 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 110.257 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.59 -68.6 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.535 ' CG ' ' N ' ' A' ' 74' ' ' GLY . 4.6 p90 -133.89 -52.92 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.535 ' N ' ' CG ' ' A' ' 73' ' ' PHE . . . 60.5 9.55 13.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.438 1.086 . . . . 0.0 111.039 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -133.83 94.27 19.13 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.54 0.788 . . . . 0.0 109.3 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.401 ' HG3' ' O ' ' A' ' 25' ' ' HIS . 18.1 Cg_endo -75.08 174.88 12.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.463 1.77 . . . . 0.0 110.945 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.497 ' H ' ' ND2' ' A' ' 77' ' ' ASN . 3.8 m-80 -49.06 129.65 17.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.437 ' HG2' ' CE1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -83.1 89.04 6.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.512 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 20.9 mmt85 -100.89 -175.25 2.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.38 -48.27 65.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.33 -7.19 67.32 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.578 1.174 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.596 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 2.2 t80 -82.34 -47.71 12.02 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.554 0.797 . . . . 0.0 111.064 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.4 OUTLIER -66.29 -53.66 34.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.921 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -70.4 -26.65 63.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.47 -55.14 9.04 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.496 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -60.01 -27.62 67.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.572 0.807 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.527 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -86.28 -21.72 27.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 108.006 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.59 -24.57 61.11 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.426 1.079 . . . . 0.0 110.277 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.565 ' HB ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -98.67 -42.54 11.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.429 1.081 . . . . 0.0 109.244 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.403 ' N ' HD13 ' A' ' 89' ' ' ILE . 3.3 mt-10 -76.99 -29.5 55.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.272 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.541 ' N ' HD21 ' A' ' 91' ' ' ASN . 0.4 OUTLIER -133.26 71.59 1.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.469 ' HB2' ' CG2' ' A' ' 95' ' ' VAL . 27.4 p30 -62.95 152.6 83.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -54.84 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.3 m -149.8 48.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.418 1.074 . . . . 0.0 110.411 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 92' ' ' ASN . 93.5 t -94.41 134.92 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 97' ' ' ALA . 15.2 pttt -115.2 -35.79 4.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.178 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.435 ' N ' ' HG3' ' A' ' 96' ' ' LYS . . . -78.1 83.83 4.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.2 m -125.48 177.72 6.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.104 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -172.49 129.04 1.64 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.658 ' N ' ' CD1' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.527 0.78 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.456 0.17 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.36 152.29 26.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.133 . . . . 0.0 110.014 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -81.45 167.86 18.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.353 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.7 112.46 25.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 6' ' ' ARG . 15.7 p-10 -117.59 -171.83 2.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.465 ' HB2' ' CG ' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -90.86 -177.42 4.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.416 1.073 . . . . 0.0 110.278 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.439 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -96.64 -79.08 0.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 110.276 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -119.35 -8.41 10.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.465 ' CG ' ' HB2' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -73.95 175.04 7.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.39 1.057 . . . . 0.0 110.282 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.416 ' C ' ' OE2' ' A' ' 9' ' ' GLU . 7.0 p90 -147.09 129.25 15.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 111.059 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.88 176.4 8.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.7 t -43.48 134.15 4.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 108.257 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.54 -3.03 78.39 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.587 1.179 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.406 ' OD2' ' NE ' ' A' ' 6' ' ' ARG . 6.8 t70 -81.97 140.6 33.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 28' ' ' ALA . 1.5 tm? -109.63 142.16 41.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.469 ' CG2' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -162.27 177.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.579 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 23.7 m-85 -93.06 112.04 23.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.43 ' CA ' HD23 ' A' ' 63' ' ' LEU . . . -98.94 132.06 44.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 8.2 tttt -108.68 145.04 35.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.447 ' O ' ' O ' ' A' ' 23' ' ' TYR . 2.4 ttt -129.36 153.74 47.58 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.619 1.199 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -56.22 121.92 10.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.46 -19.97 29.39 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.609 ' OH ' ' CZ2' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -111.28 134.59 21.08 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.593 0.819 . . . . 0.0 111.024 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.405 ' CB ' HD21 ' A' ' 77' ' ' ASN . 18.0 Cg_endo -74.96 169.65 22.16 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 110.973 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.579 ' CD2' ' HB3' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -44.64 116.17 1.01 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.623 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.72 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.6 OUTLIER -120.43 145.22 40.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.72 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -74.99 108.84 2.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.452 1.764 . . . . 0.0 110.977 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.516 ' CB ' ' HA ' ' A' ' 49' ' ' PHE . . . -129.88 162.44 28.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.497 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 12.1 ptm180 -103.91 156.46 17.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.591 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -82.54 149.69 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.427 ' N ' HD13 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -156.67 150.67 24.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -99.15 152.69 19.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.71 114.08 30.78 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 175.11 11.66 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.513 1.796 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -144.57 31.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.36 -71.43 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.365 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.46 -50.45 67.69 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.401 ' CG2' ' N ' ' A' ' 39' ' ' LYS . 9.0 p -143.02 170.57 10.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -109.03 96.59 6.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.89 -176.06 1.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.063 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.9 p -120.03 124.16 45.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.388 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 43' ' ' ASN . . . -49.32 175.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 42' ' ' ALA . 10.2 m-20 80.48 38.15 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.76 160.32 4.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.591 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -125.88 151.97 46.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 111.017 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.44 ' HG3' ' CG2' ' A' ' 55' ' ' THR . 36.5 tt0 -92.1 129.13 38.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 110.249 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.47 ' CG2' HD11 ' A' ' 63' ' ' LEU . 1.3 t -126.22 135.14 64.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.379 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.599 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.0 OUTLIER -112.33 105.53 13.84 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.606 1.191 . . . . 0.0 110.957 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.516 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 3.8 m-85 -76.0 118.94 19.29 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.497 ' CE2' ' HB3' ' A' ' 29' ' ' ARG . 51.8 m-85 -71.29 -34.28 70.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.599 1.187 . . . . 0.0 111.073 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.436 ' HA3' ' NE1' ' A' ' 26' ' ' TRP . . . -57.31 -56.94 22.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 42.7 p -87.23 -20.18 27.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 49' ' ' PHE . 27.6 t-80 67.98 40.35 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.621 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.18 158.53 43.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.577 1.173 . . . . 0.0 110.338 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.599 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 1.8 m -99.08 115.81 29.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.464 1.102 . . . . 0.0 110.483 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.94 141.72 47.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -75.42 107.64 7.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.3 mt -137.96 172.22 13.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.4 1.062 . . . . 0.0 109.283 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.04 -157.7 9.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.445 1.09 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -28.2 9.25 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.554 1.818 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -72.21 -18.07 61.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.2 10.79 33.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.226 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.47 HD11 ' CG2' ' A' ' 47' ' ' VAL . 6.8 mt -135.85 118.58 16.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.84 146.84 36.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 111.05 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 171.05 19.07 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.388 1.73 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -82.12 -42.1 19.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.18 -51.07 57.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -44.6 80.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.262 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -56.68 -51.55 68.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 110.042 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.463 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -70.54 -12.05 61.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -68.95 -49.69 55.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.14 -67.51 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' SER . 1.3 m-85 -132.37 -82.77 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.03 8.84 79.31 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.573 1.17 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -115.7 96.33 46.13 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.426 0.721 . . . . 0.0 109.265 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 174.71 12.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 110.998 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.634 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 4.1 m-80 -49.44 147.44 3.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.43 85.3 6.13 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.399 1.062 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.9 mmt-85 -99.53 -176.56 3.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.163 . . . . 0.0 110.339 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -69.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -53.86 -17.4 7.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.13 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.634 ' CD2' ' O ' ' A' ' 77' ' ' ASN . 0.6 OUTLIER -75.54 -38.6 59.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 110.993 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.7 -58.29 3.8 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.451 1.094 . . . . 0.0 109.918 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -65.73 -30.31 70.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.428 1.08 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.429 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -67.73 -56.53 10.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.558 1.161 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.513 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.38 -28.79 65.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 0.75 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.54 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -85.39 -21.98 28.59 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -72.04 -24.52 61.55 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.451 HD12 ' N ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -97.69 -43.58 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 109.36 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.451 ' N ' HD12 ' A' ' 89' ' ' ILE . 3.0 mm-40 -75.09 -27.41 59.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.264 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.564 ' ND2' ' N ' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -134.63 69.81 1.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -83.44 149.85 58.84 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.612 1.195 . . . . 0.0 109.39 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.09 -24.41 12.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.426 1.75 . . . . 0.0 110.987 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.7 m -121.92 86.54 2.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.362 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.7 p -94.51 -174.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.251 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.98 -43.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.43 97.81 7.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.4 p -174.65 174.17 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.613 1.195 . . . . 0.0 110.076 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 156.35 -112.5 0.53 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.649 ' N ' ' CD1' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.766 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 120.549 0.214 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -105.08 162.27 13.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.949 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.82 147.38 35.24 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.32 149.74 35.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.417 1.073 . . . . 0.0 109.977 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -109.29 175.84 5.31 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.506 ' CZ ' ' OD1' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -79.84 -178.46 6.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.38 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.452 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 1.6 pm0 -108.95 -41.95 4.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.446 ' HD3' ' CG ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -141.45 -39.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 109.258 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 9.7 pt-20 -61.53 100.72 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.419 1.074 . . . . 0.0 110.27 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.482 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 7.7 p90 -119.86 129.29 54.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.6 178.82 6.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.421 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 15.3 t -45.67 142.76 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 108.337 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.61 2.24 76.34 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.454 1.096 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.506 ' OD1' ' CZ ' ' A' ' 6' ' ' ARG . 7.0 t70 -96.24 146.89 24.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 0.746 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.452 ' CD1' ' N ' ' A' ' 16' ' ' VAL . 3.7 tp -122.6 140.81 52.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.508 ' CG1' ' HG ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -161.46 -179.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.474 ' N ' HG11 ' A' ' 16' ' ' VAL . 85.3 m-85 -89.53 119.56 30.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.497 1.123 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.436 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -97.61 155.47 16.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -144.74 124.89 13.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 109.223 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.3 ttp -135.51 166.57 22.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.049 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -55.38 135.06 50.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.82 10.58 19.71 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 111.055 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CE1' ' HB2' ' A' ' 26' ' ' TRP . 14.6 t80 -128.51 115.82 19.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.512 0.772 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.579 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.6 Cg_endo -74.96 157.12 43.13 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.471 ' O ' ' CG ' ' A' ' 76' ' ' PRO . 0.0 OUTLIER -47.41 117.48 1.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.543 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.593 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -134.66 159.32 72.65 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.593 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -74.94 101.51 1.47 Allowed 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.52 1.8 . . . . 0.0 111.011 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.76 139.63 51.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -95.77 139.21 32.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.506 HD12 ' CZ ' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -65.74 147.65 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.78 146.04 25.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -89.92 152.72 21.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.83 119.16 74.73 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 171.04 19.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.431 1.753 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -145.32 30.1 1.14 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.51 -60.44 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.47 -59.41 5.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.358 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.7 m -131.84 177.15 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.05 125.31 50.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.16 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.87 171.4 8.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 110.018 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.9 p -97.39 128.06 43.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.421 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.406 ' O ' ' CB ' ' A' ' 43' ' ' ASN . . . -78.29 124.96 28.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.117 . . . . 0.0 109.266 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 42' ' ' ALA . 5.5 p30 163.34 -29.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.58 177.53 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.506 ' CZ ' HD12 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -122.6 147.35 46.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.357 1.035 . . . . 0.0 110.957 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -94.66 128.98 41.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.345 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.482 ' CG1' ' CZ ' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -102.45 145.11 12.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.527 ' CD2' HG22 ' A' ' 55' ' ' THR . 0.2 OUTLIER -132.67 101.44 5.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 111.154 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.482 ' CZ ' ' CG1' ' A' ' 47' ' ' VAL . 3.7 m-85 -75.21 124.9 27.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.973 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.435 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 2.9 m-85 -78.42 -59.91 2.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.08 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -38.91 -56.3 2.16 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.084 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.8 p -80.85 -30.1 35.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.425 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 74.27 38.69 0.52 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 109.538 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -118.77 169.91 9.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.527 HG22 ' CD2' ' A' ' 48' ' ' PHE . 24.9 m -134.81 146.83 49.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.442 1.088 . . . . 0.0 110.446 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -157.96 -179.8 8.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.407 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 46.7 p90 -106.31 124.57 49.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 110.966 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.441 ' CD1' HG11 ' A' ' 47' ' ' VAL . 43.7 mt -146.4 178.91 7.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -120.77 -156.73 9.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.492 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.3 Cg_endo -75.1 -33.99 4.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.555 1.819 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -57.42 13.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.01 -30.19 14.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.508 ' HG ' ' CG1' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -91.34 141.67 28.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.42 ' O ' HG11 ' A' ' 16' ' ' VAL . 2.5 m-85 -144.2 138.84 15.22 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 111.095 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.462 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 18.1 Cg_endo -75.03 173.98 13.57 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.465 1.771 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -70.65 -39.57 73.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -55.3 -51.74 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.235 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 71' ' ' GLU . 19.7 mt-10 -68.73 -47.65 65.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 74' ' ' GLY . 3.4 m -54.8 -51.88 64.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.081 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -18.56 65.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 0.3 OUTLIER -62.61 -57.33 11.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.192 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.503 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -77.06 -70.09 0.49 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.503 ' CD1' ' HB3' ' A' ' 72' ' ' LYS . 9.6 p90 -131.48 -54.3 1.02 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 68.42 1.35 21.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.89 94.3 28.8 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.529 0.782 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.471 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.6 Cg_endo -74.93 174.42 12.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.771 . . . . 0.0 111.048 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.474 ' H ' ' ND2' ' A' ' 77' ' ' ASN . 4.6 m-80 -48.94 111.3 0.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.583 1.177 . . . . 0.0 109.203 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -69.06 87.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.492 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 25.5 mmt180 -101.14 -175.93 3.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.374 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -67.19 -46.79 72.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.63 -8.97 49.74 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.492 ' HB3' ' O ' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -81.32 -53.43 6.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.992 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 5.4 t -63.4 -54.08 42.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.937 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 4.3 pt-20 -71.16 -15.12 62.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.562 1.164 . . . . 0.0 110.254 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.419 ' O ' HG23 ' A' ' 89' ' ' ILE . . . -77.73 -61.02 2.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.51 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -57.83 -30.6 65.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.765 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.53 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -82.97 -20.92 34.27 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 2.0 mm-40 -72.56 -24.5 61.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.378 1.049 . . . . 0.0 110.33 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.443 HD11 ' N ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -99.52 -46.85 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.443 ' N ' HD11 ' A' ' 89' ' ' ILE . 42.1 mm-40 -71.15 -29.32 65.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.589 1.18 . . . . 0.0 110.362 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.572 ' N ' HD21 ' A' ' 91' ' ' ASN . 0.3 OUTLIER -133.94 66.86 1.53 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 92' ' ' ASN . 10.5 p-10 -79.3 155.64 76.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -30.41 7.24 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.571 1.827 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 63.4 m -119.06 91.44 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.453 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 5.0 p -93.37 177.15 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.44 1.087 . . . . 0.0 109.258 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.4 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.227 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.22 77.64 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.1 -55.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.59 1.181 . . . . 0.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.444 ' C ' ' CD1' ' A' ' 100' ' ' TYR . . . 131.92 162.46 10.44 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.552 1.157 . . . . 0.0 110.978 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.617 ' N ' ' CD1' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 111.006 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 mtm . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.453 0.168 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -126.54 106.84 9.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.062 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.18 148.63 22.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.394 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.3 p -95.87 116.66 29.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.031 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -113.01 165.13 12.64 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.458 1.099 . . . . 0.0 109.414 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.443 ' HB2' ' HB2' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -90.97 -179.57 5.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.55 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 1.7 pm0 -108.87 -110.17 0.32 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.585 1.178 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.446 ' HD3' ' C ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -83.63 11.65 6.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.443 ' HB2' ' HB2' ' A' ' 6' ' ' ARG . 1.2 mt-10 -53.26 122.54 9.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.545 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 3.6 p90 -147.53 124.16 11.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.19 175.21 10.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.471 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 2.0 t -45.05 123.02 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 108.301 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.28 8.5 46.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -101.23 134.7 43.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -97.36 137.12 36.82 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.451 1.094 . . . . 0.0 109.258 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.437 ' N ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -158.19 178.13 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.566 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -91.89 132.49 36.44 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.632 ' CB ' ' CD1' ' A' ' 63' ' ' LEU . . . -129.98 130.66 45.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.577 ' HB3' ' CG ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -117.64 152.12 35.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.417 ' O ' ' O ' ' A' ' 23' ' ' TYR . 8.4 ttt -132.2 156.22 46.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.79 119.48 6.26 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.31 -20.49 45.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.417 ' O ' ' O ' ' A' ' 20' ' ' MET . 4.3 t80 -114.05 135.92 22.14 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.441 0.73 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.46 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -75.0 155.17 42.88 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.524 1.802 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.577 ' CG ' ' HB3' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -41.13 116.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.598 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.602 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -120.03 158.29 50.68 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.48 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -75.03 107.32 2.46 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.545 1.813 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 16' ' ' VAL . . . -124.14 156.28 36.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.386 1.054 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.438 ' CG ' ' HB3' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -107.84 148.06 30.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 110.32 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.572 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -71.24 144.51 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.206 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.42 ' N ' HD12 ' A' ' 30' ' ' ILE . 4.5 m-20 -151.47 145.53 25.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -89.91 160.81 16.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.234 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -82.9 121.1 77.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 156.07 43.17 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.549 1.815 . . . . 0.0 111.017 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -121.3 25.68 9.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.12 -77.97 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.83 -31.17 37.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -143.47 177.11 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.443 1.089 . . . . 0.0 109.208 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.481 ' CG ' ' N ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -74.67 -148.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.481 ' N ' ' CG ' ' A' ' 39' ' ' LYS . 34.9 p -145.13 130.72 18.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.044 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.4 m -117.06 167.22 11.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 110.352 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.459 ' O ' ' ND2' ' A' ' 43' ' ' ASN . . . -104.57 178.12 4.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER 38.97 56.73 1.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 1.073 . . . . 0.0 109.377 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.53 137.94 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.572 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -129.01 149.25 50.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.966 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.501 ' OE1' ' CG2' ' A' ' 55' ' ' THR . 0.0 OUTLIER -82.77 135.14 35.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.581 1.175 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.0 t -136.6 125.72 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.409 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.438 ' HB3' ' CG ' ' A' ' 29' ' ' ARG . 6.4 t80 -105.79 133.94 49.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 110.963 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -97.88 126.94 43.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.553 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 9.5 m-85 -78.46 -60.17 2.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.624 1.203 . . . . 0.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -40.05 -55.23 2.94 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.0 p -80.23 -31.52 38.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.398 0.705 . . . . 0.0 110.47 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 73.29 39.71 0.58 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.574 1.171 . . . . 0.0 109.61 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -133.25 145.21 50.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.227 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.501 ' CG2' ' OE1' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -93.87 121.54 35.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.383 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.33 153.2 47.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.576 ' CG ' ' O ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -87.0 122.86 31.43 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.426 ' HB3' ' CB ' ' A' ' 62' ' ' ASP . 82.0 mt -140.87 177.71 7.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.189 . . . . 0.0 109.305 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -120.26 -160.83 11.31 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.3 Cg_endo -75.09 -34.75 3.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.443 1.76 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.84 -42.61 97.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.085 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.426 ' CB ' ' HB3' ' A' ' 58' ' ' LEU . 2.5 m-20 -64.46 -22.43 66.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.176 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.632 ' CD1' ' CB ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -100.66 145.53 28.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.453 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -140.67 146.28 43.87 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.952 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.408 ' O ' ' HB3' ' A' ' 69' ' ' SER . 18.3 Cg_endo -75.03 158.38 42.11 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.454 1.765 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.572 ' CE2' ' HD2' ' A' ' 70' ' ' LYS . 8.0 t80 -79.53 -37.97 35.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -54.25 -51.28 65.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -68.85 -39.18 80.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.45 ' HB2' ' CA ' ' A' ' 74' ' ' GLY . 7.0 p -59.44 -51.04 71.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.572 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 1.8 pttm -71.05 -13.99 62.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -69.67 -44.25 70.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.359 1.037 . . . . 0.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -106.43 -68.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.388 1.055 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' SER . 0.6 OUTLIER -132.93 -77.33 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.404 1.065 . . . . 0.0 111.003 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.45 ' CA ' ' HB2' ' A' ' 69' ' ' SER . . . 61.84 26.36 66.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.23 94.17 24.21 Favored Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 124.457 0.739 . . . . 0.0 109.258 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 175.28 11.41 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.474 1.776 . . . . 0.0 110.99 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.587 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 3.2 m-80 -49.09 141.3 8.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -92.94 90.27 6.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 19.9 mmt180 -100.95 -175.99 3.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -68.43 -44.87 74.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.249 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.48 -9.9 78.53 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.458 1.099 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.602 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 3.2 t80 -81.65 -44.02 17.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 0.801 . . . . 0.0 110.95 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.6 t -68.67 -56.22 8.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 109.951 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 4.6 pt-20 -69.42 -21.43 63.75 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.29 -58.2 4.02 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.442 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -57.4 -27.21 62.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.552 ' CD1' ' ND2' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -86.87 -23.38 25.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 108.019 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 1.1 mm-40 -70.36 -22.53 62.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.553 ' HB ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -100.48 -44.4 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.381 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.422 ' N ' HD11 ' A' ' 89' ' ' ILE . 4.9 mm-40 -72.45 -30.44 64.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.243 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.552 ' ND2' ' CD1' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -133.88 69.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -68.38 149.31 98.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.223 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 -30.95 6.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 111.028 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.471 ' CG2' ' O ' ' A' ' 94' ' ' THR . 11.5 t -149.88 76.64 1.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.1 p -45.03 107.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.594 1.184 . . . . 0.0 109.349 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -81.63 -32.68 31.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.451 ' O ' ' CB ' ' A' ' 98' ' ' SER . . . -145.81 151.51 38.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.196 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 97' ' ' ALA . 0.2 OUTLIER 82.44 177.21 0.08 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.379 1.05 . . . . 0.0 110.016 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 100' ' ' TYR . . . 161.67 145.27 4.26 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.606 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.463 0.743 . . . . 0.0 110.963 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.489 0.185 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 p -109.17 83.77 1.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.94 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -86.61 168.01 14.03 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.94 141.36 53.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.958 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -114.37 158.19 21.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.575 1.172 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.436 ' HG3' ' HB2' ' A' ' 9' ' ' GLU . 5.8 ptp180 -94.49 -179.87 5.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.243 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.556 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 1.9 pm0 -105.7 -112.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.246 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.569 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -83.3 10.95 7.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.25 -179.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.436 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 3.6 mt-10 -54.4 135.52 45.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.569 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -147.85 161.71 40.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 110.975 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.53 159.81 44.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.3 p -43.71 130.28 5.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 108.313 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.24 7.26 60.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.43 1.081 . . . . 0.0 111.004 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -86.56 150.05 24.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.565 0.803 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.24 140.76 49.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.401 HG23 ' CD2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -162.76 176.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.408 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -92.74 112.41 24.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.509 ' CB ' ' CD1' ' A' ' 63' ' ' LEU . . . -104.84 132.93 50.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 12.8 tttt -114.17 141.49 47.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -127.51 156.62 41.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.61 120.26 7.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.86 -17.3 32.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.126 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.445 ' OH ' ' CG2' ' A' ' 52' ' ' THR . 4.1 t80 -106.94 129.05 24.94 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.523 0.778 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.414 ' CB ' ' ND2' ' A' ' 77' ' ' ASN . 18.4 Cg_endo -75.09 157.79 42.22 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.453 1.764 . . . . 0.0 111.053 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.47 ' O ' ' CG ' ' A' ' 76' ' ' PRO . 0.0 OUTLIER -39.42 118.4 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.665 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.623 ' CZ2' ' HB2' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -129.19 155.12 80.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 107.956 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.59 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -74.88 104.12 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.436 1.756 . . . . 0.0 111.071 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.73 149.55 41.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.439 ' HG2' ' N ' ' A' ' 30' ' ' ILE . 15.2 ttm180 -97.51 160.9 14.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.144 . . . . 0.0 110.36 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.471 HG12 ' CE1' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -81.12 142.45 13.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.551 ' OD2' ' CD2' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -152.1 149.29 28.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -104.11 147.89 26.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.217 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -73.59 131.23 82.59 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 111.077 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 170.77 19.69 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 111.078 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -124.29 28.96 6.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.25 -60.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.87 -44.9 94.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.5 m -136.73 177.07 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.54 117.28 34.35 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.607 1.192 . . . . 0.0 109.364 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.1 t -41.22 140.48 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.039 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.1 p -119.91 -171.52 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.349 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.411 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . -89.89 148.65 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.458 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 1.6 p-10 42.12 82.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.223 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.89 117.72 2.98 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.407 1.067 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.626 ' CE1' ' O ' ' A' ' 46' ' ' GLN . 0.3 OUTLIER -122.0 127.54 50.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 111.052 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.626 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 2.3 tt0 -80.17 133.34 36.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.487 ' CG2' ' OH ' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -122.31 136.44 59.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.551 ' CD2' ' OD2' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -110.64 99.23 8.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -73.78 124.85 26.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.105 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.559 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 18.6 m-85 -80.17 -54.0 6.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 111.022 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.51 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . -39.01 -56.15 2.23 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.491 1.119 . . . . 0.0 111.058 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.445 ' CG2' ' OH ' ' A' ' 23' ' ' TYR . 41.7 p -82.41 -26.99 32.28 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.459 0.741 . . . . 0.0 110.381 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.4 t60 73.57 38.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 109.674 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -138.66 161.41 37.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -94.37 164.55 12.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.418 1.073 . . . . 0.0 110.456 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.442 ' N ' ' CG2' ' A' ' 55' ' ' THR . . . -159.89 -179.86 8.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.49 ' CG ' ' O ' ' A' ' 57' ' ' PHE . 28.4 p90 -118.07 109.84 16.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.483 ' HB3' ' CB ' ' A' ' 62' ' ' ASP . 83.8 mt -135.95 179.82 6.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.614 1.197 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.62 -157.17 9.84 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.515 1.134 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -41.52 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -58.72 -45.9 88.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.483 ' CB ' ' HB3' ' A' ' 58' ' ' LEU . 2.3 m-20 -59.32 -15.88 18.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.232 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.592 HD22 ' CE2' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -106.66 137.25 45.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.908 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.451 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -130.67 144.26 52.7 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.406 ' O ' ' HB3' ' A' ' 69' ' ' SER . 18.6 Cg_endo -75.0 155.65 42.92 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.526 1.803 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.612 ' CE2' ' CD ' ' A' ' 70' ' ' LYS . 7.2 t80 -77.84 -37.39 48.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -54.99 -50.62 68.55 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.491 1.119 . . . . 0.0 110.259 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -45.94 72.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 110.209 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.472 ' HB2' ' CA ' ' A' ' 74' ' ' GLY . 1.2 p -58.23 -49.51 76.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.972 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.612 ' CD ' ' CE2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -67.16 -17.78 65.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.132 . . . . 0.0 109.236 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -69.66 -43.76 71.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -106.98 -69.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.363 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 69' ' ' SER . 6.7 m-85 -132.95 -86.05 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.472 ' CA ' ' HB2' ' A' ' 69' ' ' SER . . . 70.22 11.02 66.84 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.387 1.054 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -112.94 94.58 30.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.551 0.794 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.47 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.3 Cg_endo -74.84 175.2 11.49 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.421 1.748 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.519 ' H ' ' ND2' ' A' ' 77' ' ' ASN . 3.0 m-80 -49.29 133.87 19.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.56 ' HD3' ' CE1' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -87.59 90.91 8.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.461 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 10.1 mmt180 -101.36 -175.4 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.248 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.43 -44.06 75.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.62 -8.91 77.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.403 1.065 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.623 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 3.2 t80 -82.25 -47.76 12.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 22.9 t -66.98 -54.11 25.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.64 -30.28 68.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.226 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.66 -57.08 10.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.5 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.23 -27.39 63.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.584 0.814 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.591 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -86.46 -21.93 26.76 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.517 1.136 . . . . 0.0 108.031 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.69 -23.5 61.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 110.365 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.559 ' HB ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -99.63 -41.14 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.356 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.436 ' N ' HD13 ' A' ' 89' ' ' ILE . 2.6 mt-10 -77.65 -28.02 51.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.563 1.165 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.591 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -134.0 58.66 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 95' ' ' VAL . 20.0 p30 -63.94 156.28 74.32 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.239 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.86 -20.19 17.47 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.565 1.824 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 94' ' ' THR . 13.3 t -138.61 92.03 2.59 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.496 1.123 . . . . 0.0 110.459 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.453 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 7.4 p -94.15 142.76 12.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.215 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -111.43 -39.52 4.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 109.274 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.35 166.94 3.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.401 1.063 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.4 m -150.47 138.41 20.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 137.05 -114.04 1.09 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.41 1.068 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.651 ' N ' ' CD1' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.458 0.17 . . . . 0.0 111.045 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.42 157.25 30.95 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.131 . . . . 0.0 109.958 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -94.86 167.73 11.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.83 129.15 56.65 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.477 1.111 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -113.31 -174.25 2.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.412 1.07 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.496 ' NE ' ' OD2' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -95.55 -179.73 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.439 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -102.99 -63.73 1.14 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 110.25 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.491 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -125.89 -37.04 2.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 0.0 109.23 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.491 ' N ' ' CD ' ' A' ' 8' ' ' LYS . 1.6 pp20? -64.12 113.04 3.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.257 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.479 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 3.6 p90 -134.18 129.94 36.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 12' ' ' CYS . 4.3 mtpp -134.43 -179.55 5.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.417 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 34.7 t -41.43 144.32 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 108.36 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.23 -0.37 75.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.571 1.169 . . . . 0.0 111.003 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.496 ' OD2' ' NE ' ' A' ' 6' ' ' ARG . 10.6 t0 -93.8 139.52 30.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.395 0.703 . . . . 0.0 109.236 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.94 135.85 53.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.611 1.194 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -154.96 178.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.606 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -91.44 109.78 21.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.48 1.113 . . . . 0.0 111.057 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.502 ' CB ' HD21 ' A' ' 63' ' ' LEU . . . -94.42 137.39 33.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.653 1.221 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -123.75 140.52 52.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.136 . . . . 0.0 109.239 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.458 ' O ' ' O ' ' A' ' 23' ' ' TYR . 2.2 ttt -130.34 155.86 45.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -56.71 126.9 28.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.598 1.186 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.64 -16.06 32.91 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.529 ' CE2' ' CE3' ' A' ' 26' ' ' TRP . 2.7 t80 -115.78 130.23 24.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.446 0.733 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.29 29.49 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.606 ' CD2' ' HB3' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -40.48 130.87 2.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.696 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.714 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.4 OUTLIER -140.25 143.27 32.9 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.714 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.5 Cg_endo -75.02 109.65 2.97 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.411 1.743 . . . . 0.0 111.096 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.409 ' CB ' ' HA ' ' A' ' 49' ' ' PHE . . . -130.02 156.53 44.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.595 1.184 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.473 ' HG2' ' CB ' ' A' ' 48' ' ' PHE . 1.5 ptt180 -97.06 158.31 15.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.467 HG12 ' CD1' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -92.01 144.05 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.432 ' N ' HD12 ' A' ' 30' ' ' ILE . 54.2 m-20 -155.78 149.54 25.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -97.49 152.44 18.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 110.358 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -74.18 113.49 24.06 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 167.81 26.22 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.382 1.727 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -125.98 31.49 5.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 37' ' ' ALA . . . -89.21 -98.09 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 36' ' ' ALA . . . -39.57 -47.45 1.92 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.594 1.184 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.1 m -131.4 177.04 7.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.17 144.91 34.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.3 t -86.46 147.36 26.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.022 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.6 p -115.66 137.65 51.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.44 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.41 173.41 8.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 59.58 44.9 13.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 109.344 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.06 150.95 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.379 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.418 ' O ' ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -129.79 132.25 46.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 31' ' ' ASP . 22.9 tt0 -78.87 139.24 38.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.3 t -131.43 132.49 62.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.591 ' CD1' ' HB ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -107.48 110.3 22.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.978 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.423 ' CE1' ' HB2' ' A' ' 18' ' ' ALA . 2.9 m-85 -78.9 124.51 28.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.601 1.188 . . . . 0.0 111.071 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' A' ' 29' ' ' ARG . 20.2 m-85 -82.95 -12.12 57.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 111.085 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.535 ' HA3' ' NE1' ' A' ' 26' ' ' TRP . . . -72.51 -57.74 5.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.1 p -90.96 -15.9 28.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 74.6 38.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.087 . . . . 0.0 109.604 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -139.53 156.17 47.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.591 ' HB ' ' CD1' ' A' ' 48' ' ' PHE . 4.9 t -102.94 141.89 34.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.47 1.106 . . . . 0.0 110.437 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.99 159.09 42.96 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.414 1.071 . . . . 0.0 109.366 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.515 ' CG ' ' O ' ' A' ' 57' ' ' PHE . 4.2 p90 -74.92 126.01 30.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.625 1.203 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.431 ' CD2' ' HB3' ' A' ' 62' ' ' ASP . 4.0 mp -152.25 177.58 10.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -132.76 -162.42 10.25 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.444 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.1 Cg_endo -75.05 -31.51 6.08 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.519 1.8 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -46.46 73.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.431 ' HB3' ' CD2' ' A' ' 58' ' ' LEU . 2.6 m-20 -66.76 -12.31 58.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.502 HD21 ' CB ' ' A' ' 18' ' ' ALA . 15.5 mt -108.77 116.49 32.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -108.03 148.98 38.52 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.41 ' O ' ' HB3' ' A' ' 69' ' ' SER . 18.2 Cg_endo -75.05 164.65 32.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.511 1.795 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.514 ' CE2' ' HD2' ' A' ' 70' ' ' LYS . 9.3 t80 -81.72 -39.04 24.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -53.19 -51.28 62.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.608 1.193 . . . . 0.0 110.28 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.12 -34.45 76.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.404 1.065 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.465 ' HB2' ' CA ' ' A' ' 74' ' ' GLY . 1.6 p -64.32 -51.98 60.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.445 1.09 . . . . 0.0 109.997 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.514 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 2.1 pttm -68.77 -13.73 62.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.64 -44.2 57.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -106.53 -69.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' SER . 3.2 m-85 -133.12 -84.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.465 ' CA ' ' HB2' ' A' ' 69' ' ' SER . . . 71.6 4.88 59.02 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.433 1.083 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -113.08 95.24 33.85 Favored Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.547 0.793 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.573 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 18.0 Cg_endo -74.98 174.97 11.86 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.439 1.757 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.657 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 25.4 m-80 -49.47 119.04 3.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.479 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -71.52 75.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 14.7 mmt180 -89.68 -174.8 4.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -65.42 -67.26 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.06 -13.3 26.68 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.496 1.123 . . . . 0.0 110.938 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.657 ' CD2' ' O ' ' A' ' 77' ' ' ASN . 0.4 OUTLIER -75.99 -36.95 59.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 0.795 . . . . 0.0 111.056 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 40.4 t -74.64 -57.64 3.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.04 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 4.7 pt-20 -57.79 -36.06 71.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.098 . . . . 0.0 110.28 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.57 -52.71 28.56 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -61.21 -29.57 69.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 0.727 . . . . 0.0 109.288 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.572 ' CD1' ' ND2' ' A' ' 91' ' ' ASN . 0.2 OUTLIER -86.59 -22.38 26.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 0.0 107.964 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -68.16 -27.95 66.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.362 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.511 ' C ' ' CD1' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -95.79 -43.52 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.422 ' N ' HD12 ' A' ' 89' ' ' ILE . 15.8 mm-40 -70.81 -36.2 72.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.213 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.572 ' ND2' ' CD1' ' A' ' 87' ' ' TRP . 0.2 OUTLIER -133.51 72.92 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -78.57 149.04 74.36 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -29.34 8.37 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 111.048 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 50.7 m -119.09 90.42 3.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.448 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.4 p -99.91 -172.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.34 -42.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.52 82.56 7.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.6 m -49.16 144.24 5.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.594 1.184 . . . . 0.0 109.96 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 168.19 94.68 0.1 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.428 1.08 . . . . 0.0 111.036 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.619 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.419 0.717 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.451 0.167 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.89 157.79 27.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.926 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.33 156.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.374 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.4 p -98.07 113.89 25.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.436 ' O ' ' ND2' ' A' ' 5' ' ' ASN . 2.0 p-10 -116.66 132.72 56.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.381 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.476 ' CG ' ' HB3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -57.71 -175.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.223 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.716 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 1.5 pm0 -116.25 -43.07 2.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.504 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -62.05 -10.66 10.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.476 ' HB3' ' CG ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -53.84 -172.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.227 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 8.1 p90 -147.54 142.17 26.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 14' ' ' ASP . 1.9 mtpp -141.11 -179.86 6.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.336 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.473 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 31.1 p -48.62 143.96 4.69 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.461 1.101 . . . . 0.0 108.301 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.47 -0.41 85.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.555 1.159 . . . . 0.0 111.096 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 15.5 t70 -77.41 152.05 34.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 109.225 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -116.95 127.18 53.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -146.55 176.81 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.642 1.214 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.609 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -93.3 109.81 21.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.494 ' CB ' HD23 ' A' ' 63' ' ' LEU . . . -93.44 130.41 39.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.5 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 3.3 tttm -115.22 141.07 48.52 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.483 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -130.31 153.67 48.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.067 . . . . 0.0 110.98 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -56.1 124.75 18.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.68 -20.97 24.96 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.692 ' CE2' ' CD2' ' A' ' 26' ' ' TRP . 2.5 t80 -113.59 133.85 22.12 Favored Pre-proline 0 C--N 1.328 -0.361 0 O-C-N 124.473 0.749 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 170.24 20.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.52 1.8 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.609 ' CD2' ' HB3' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -45.12 124.43 4.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.639 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.702 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.4 OUTLIER -129.4 144.11 51.54 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.583 1.177 . . . . 0.0 108.024 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.702 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.3 Cg_endo -74.94 109.32 2.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.518 1.799 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.509 ' CB ' ' HA ' ' A' ' 49' ' ' PHE . . . -130.1 162.09 29.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.483 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 9.0 ttt180 -102.17 154.63 18.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.586 1.179 . . . . 0.0 110.361 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.581 HD13 ' CD2' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -82.49 149.41 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 46' ' ' GLN . 12.8 m-20 -158.9 153.03 23.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -113.54 155.65 25.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.436 ' CE ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -73.21 118.84 72.08 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.464 1.102 . . . . 0.0 111.01 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 176.46 9.88 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 14.6 pt-20 -83.93 46.64 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.8 -54.0 2.36 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.574 1.171 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.65 -28.99 30.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.7 m -141.53 178.03 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.593 1.183 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -48.14 -79.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 41' ' ' THR . 1.1 p -146.1 -62.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 109.981 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.466 ' N ' ' OG ' ' A' ' 40' ' ' SER . 4.2 p -103.29 128.91 50.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 110.35 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -103.76 177.56 4.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.401 ' ND2' ' N ' ' A' ' 44' ' ' LYS . 1.3 p-10 -87.33 -35.87 18.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.436 ' O ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -92.67 156.0 17.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.581 ' CD2' HD13 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -98.75 147.64 24.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.428 ' N ' ' HE1' ' A' ' 33' ' ' MET . 18.4 tt0 -96.52 138.41 34.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.6 t -134.0 141.02 45.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.606 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -113.51 103.19 11.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.95 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.509 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 5.2 m-85 -72.4 117.85 14.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.399 1.062 . . . . 0.0 110.946 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.483 ' CE2' ' HB2' ' A' ' 29' ' ' ARG . 25.6 m-85 -73.15 -32.14 64.7 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.454 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . -56.73 -56.79 22.9 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.556 1.16 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.6 p -90.54 -22.76 21.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 0.738 . . . . 0.0 110.392 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER 73.95 38.82 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 109.585 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -129.24 151.75 49.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.606 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 4.9 m -95.56 112.25 24.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.414 1.071 . . . . 0.0 110.442 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -114.92 137.05 52.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 0.0 109.325 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.562 ' CG ' ' O ' ' A' ' 57' ' ' PHE . 7.2 p90 -72.8 121.53 20.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.461 ' CD2' ' CG ' ' A' ' 62' ' ' ASP . 31.6 mt -145.12 177.62 8.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.239 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.38 -160.65 10.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.399 1.062 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -74.98 -27.69 9.83 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -33.52 70.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.461 ' CG ' ' CD2' ' A' ' 58' ' ' LEU . 1.3 m-20 -83.18 -7.06 59.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.494 HD23 ' CB ' ' A' ' 18' ' ' ALA . 10.8 mt -117.13 116.5 27.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.422 ' HB2' ' NE2' ' A' ' 25' ' ' HIS . 2.3 m-85 -113.14 136.11 21.77 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.379 1.05 . . . . 0.0 111.038 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 64' ' ' PHE . 18.5 Cg_endo -74.92 154.97 43.3 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.511 1.795 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.414 ' CZ ' ' HD2' ' A' ' 70' ' ' LYS . 9.0 t80 -56.79 -37.98 71.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -49.58 76.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.445 1.091 . . . . 0.0 110.323 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.61 -46.11 55.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 74' ' ' GLY . 0.2 OUTLIER -54.27 -50.42 67.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.414 ' HD2' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -65.17 -27.22 68.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -59.47 -39.97 85.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -98.67 -67.69 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.259 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -132.53 -63.82 0.78 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.494 1.121 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 73.08 0.49 52.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.435 1.084 . . . . 0.0 111.033 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.77 97.36 17.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.347 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.554 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 18.2 Cg_endo -74.95 174.92 11.93 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.783 . . . . 0.0 111.026 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.636 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 0.9 OUTLIER -49.1 120.8 4.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.583 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -72.54 75.04 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.342 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.409 ' N ' ' HB3' ' A' ' 82' ' ' PHE . 19.7 mmt180 -88.22 -175.99 5.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -70.78 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.35 -13.9 11.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.636 ' CD2' ' O ' ' A' ' 77' ' ' ASN . 0.2 OUTLIER -77.81 -33.38 52.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 110.933 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.8 t -77.81 -58.97 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.0 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' A' ' 88' ' ' GLU . 3.1 pt-20 -55.56 -38.36 69.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.39 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' GLU . . . -65.06 -62.06 5.26 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.504 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -50.58 -30.96 14.48 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.421 0.718 . . . . 0.0 109.315 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.476 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -87.39 -27.16 22.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 107.964 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 84' ' ' GLU . 2.0 tm-20 -73.47 -19.58 60.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.088 . . . . 0.0 110.334 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.506 ' C ' ' CD1' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -101.73 -39.65 6.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -82.57 -25.95 32.82 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.584 ' N ' HD21 ' A' ' 91' ' ' ASN . 0.3 OUTLIER -134.02 66.11 1.56 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -64.75 148.36 97.2 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -30.27 7.32 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.442 1.759 . . . . 0.0 111.059 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.5 m -137.82 84.34 2.04 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.448 1.092 . . . . 0.0 110.333 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.4 p -67.82 109.17 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 97' ' ' ALA . 0.2 OUTLIER -76.91 -32.59 57.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.355 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.431 ' N ' ' HG3' ' A' ' 96' ' ' LYS . . . -150.86 153.71 35.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -52.53 27.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 124.81 -93.71 0.45 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.609 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.427 0.156 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -127.21 167.26 16.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.048 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.57 165.6 12.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.382 1.051 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.64 111.04 20.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.002 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -117.14 159.32 22.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -72.99 -178.68 2.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.461 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -100.5 -81.8 0.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.46 1.1 . . . . 0.0 110.216 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.33 -29.66 5.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 1.2 pt-20 -114.21 -175.72 2.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.617 1.198 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.474 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 11.9 p90 -147.33 115.85 6.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -97.21 173.78 7.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.5 t -52.39 148.14 7.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 108.304 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.97 -10.21 71.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -72.04 149.97 44.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 0.79 . . . . 0.0 109.403 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.498 ' CD1' ' CG1' ' A' ' 89' ' ' ILE . 0.5 OUTLIER -120.75 131.23 54.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.503 ' CG2' ' HA ' ' A' ' 65' ' ' PRO . 0.4 OUTLIER -150.66 179.84 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.487 ' N ' ' CG1' ' A' ' 16' ' ' VAL . 23.5 m-85 -91.87 110.7 22.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.537 ' CB ' ' CD1' ' A' ' 63' ' ' LEU . . . -94.82 151.56 19.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.7 137.75 53.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.475 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -124.65 149.11 47.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.528 1.142 . . . . 0.0 110.952 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.85 120.51 8.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.391 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.18 -20.0 46.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.582 ' OH ' ' CZ2' ' A' ' 26' ' ' TRP . 0.7 OUTLIER -117.37 133.73 23.19 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.433 0.725 . . . . 0.0 110.977 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 25' ' ' HIS . 18.3 Cg_endo -75.02 173.59 14.24 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.48 1.779 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.514 ' O ' ' CG ' ' A' ' 76' ' ' PRO . 0.1 OUTLIER -39.52 128.96 1.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.59 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.672 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.8 OUTLIER -138.06 152.57 72.18 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 108.05 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.672 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.1 Cg_endo -75.02 103.65 1.77 Allowed 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.591 1.837 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.402 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -126.51 143.76 51.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.451 ' CD ' ' HG ' ' A' ' 15' ' ' LEU . 6.9 ttp180 -91.77 160.27 15.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.475 HD12 ' CE2' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -89.55 144.05 9.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 46' ' ' GLN . 9.3 m-20 -155.21 145.82 22.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -96.8 170.94 8.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 110.401 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.95 114.03 28.81 Favored Pre-proline 0 C--N 1.323 -0.552 0 O-C-N 124.572 1.17 . . . . 0.0 111.059 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 170.48 20.32 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.454 1.765 . . . . 0.0 110.936 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -148.01 34.64 0.83 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.71 -86.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.077 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.43 14.71 30.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.602 1.189 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.5 p -143.53 177.55 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.408 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HD3' ' N ' ' A' ' 39' ' ' LYS . 0.3 OUTLIER -109.16 -176.72 3.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.419 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.5 p -123.89 164.51 19.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.0 m -117.76 173.86 6.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 110.465 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' ASN . . . -100.31 158.63 15.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' ALA . 5.5 p30 40.44 72.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.35 145.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.475 ' CE2' HD12 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -126.34 152.29 46.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.502 ' OE1' ' CG2' ' A' ' 55' ' ' THR . 0.0 OUTLIER -91.75 128.82 37.73 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -129.88 118.79 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -97.22 110.6 23.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.059 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -83.75 120.5 26.1 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.492 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 9.1 m-85 -78.36 -31.52 48.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 111.072 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.547 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . -57.32 -56.96 22.29 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 p -82.59 -19.86 37.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 0.792 . . . . 0.0 110.391 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.4 t60 70.38 38.29 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.629 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -140.07 163.15 33.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.223 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.502 ' CG2' ' OE1' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -96.33 120.3 36.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.338 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -118.75 134.77 54.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.604 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 54.5 p90 -77.59 112.69 14.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.429 ' HB3' ' CB ' ' A' ' 62' ' ' ASP . 19.6 mt -133.26 177.62 7.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.56 1.162 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.76 -156.12 10.06 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.475 1.11 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 63' ' ' LEU . 17.9 Cg_endo -75.1 -44.62 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.779 . . . . 0.0 111.026 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -49.77 74.53 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.488 1.117 . . . . 0.0 109.229 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.429 ' CB ' ' HB3' ' A' ' 58' ' ' LEU . 1.6 m-20 -55.06 -21.58 13.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.378 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.537 ' CD1' ' CB ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -101.3 126.88 48.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.439 ' O ' HG12 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -132.65 137.22 29.3 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.503 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 18.1 Cg_endo -75.05 173.9 13.71 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.504 1.792 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -73.95 -37.73 64.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -52.54 -50.43 62.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -47.48 52.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.357 1.036 . . . . 0.0 110.274 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 74' ' ' GLY . 4.7 p -55.84 -48.13 76.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -22.55 65.1 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -63.04 -42.54 99.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -97.65 -67.49 0.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.397 1.06 . . . . 0.0 109.38 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -132.75 -66.7 0.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 76.8 -2.44 59.51 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -123.58 96.18 43.86 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.605 0.826 . . . . 0.0 109.344 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.514 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.4 Cg_endo -74.95 174.97 11.85 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.479 1.778 . . . . 0.0 111.06 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.563 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 1.0 OUTLIER -52.3 131.7 33.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.51 ' HG2' ' CE1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -84.84 85.41 7.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.405 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.466 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 27.0 mmt85 -97.7 -174.9 3.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 0.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -43.23 79.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.602 1.189 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.57 -7.93 85.79 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.602 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 2.5 t80 -82.68 -48.64 10.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 0.73 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.1 OUTLIER -67.2 -51.95 47.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 88' ' ' GLU . 5.4 pt-20 -69.5 -36.16 76.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.223 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.407 ' O ' HG23 ' A' ' 89' ' ' ILE . . . -63.5 -53.57 37.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.47 1.106 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.5 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -59.65 -28.2 67.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 0.767 . . . . 0.0 109.37 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.456 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -86.62 -20.84 27.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 107.989 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 84' ' ' GLU . 4.9 mt-10 -73.64 -22.88 59.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.512 ' C ' ' CD1' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -100.15 -42.32 10.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.432 1.082 . . . . 0.0 109.24 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -76.72 -31.62 57.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.211 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.52 ' ND2' ' N ' ' A' ' 91' ' ' ASN . 0.4 OUTLIER -133.13 72.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.227 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -76.13 132.56 73.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -55.37 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.514 1.797 . . . . 0.0 111.041 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.3 m -139.49 70.61 1.37 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.161 . . . . 0.0 110.47 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.8 p -53.35 100.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -62.01 -32.08 72.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.434 ' CB ' ' NH2' ' A' ' 29' ' ' ARG . . . -71.47 154.62 41.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.9 p -55.13 136.44 48.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.94 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -77.63 -145.74 2.42 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.455 1.097 . . . . 0.0 111.066 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.622 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.443 0.731 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.505 0.193 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 p -174.42 157.62 2.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.2 ptt-85 -81.41 163.17 22.99 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.397 1.061 . . . . 0.0 110.348 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.3 p -102.9 153.76 19.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.477 1.11 . . . . 0.0 109.974 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -73.46 150.75 41.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.377 1.048 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.436 ' HB2' ' HB2' ' A' ' 9' ' ' GLU . 1.9 ptp180 -99.56 -180.0 4.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.607 1.192 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.596 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 2.0 pm0 -100.93 -115.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.516 ' C ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -82.83 15.74 2.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.436 ' HB2' ' HB2' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -54.57 132.59 45.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.414 1.071 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.415 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 1.6 p90 -146.98 163.2 36.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.04 164.94 34.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.8 t -42.2 119.47 1.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 108.256 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 112.02 -8.08 27.3 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.44 1.088 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -78.67 122.71 26.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 0.736 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.482 HD21 ' CB ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -99.86 141.96 31.98 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -164.07 177.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 109.324 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.583 ' O ' ' CE1' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -93.1 109.36 20.84 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.506 ' CA ' HD22 ' A' ' 63' ' ' LEU . . . -109.62 128.73 55.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.508 ' CB ' ' HA ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -107.45 161.54 14.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.16 162.79 30.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.33 118.13 5.2 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 0.0 109.382 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.3 -15.56 49.21 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 111.048 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.585 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 2.2 t80 -109.52 135.46 20.33 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.439 0.729 . . . . 0.0 111.043 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.585 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 18.6 Cg_endo -74.96 155.88 43.16 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.583 1.833 . . . . 0.0 111.019 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.583 ' CE1' ' O ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -40.91 117.31 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.565 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.615 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -121.34 157.06 57.02 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.497 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.6 Cg_endo -74.98 103.64 1.76 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.541 1.811 . . . . 0.0 111.073 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.91 151.4 43.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.599 1.187 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.49 ' CG ' ' HB3' ' A' ' 48' ' ' PHE . 12.6 ptt180 -104.28 150.41 24.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -72.44 147.95 9.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 109.235 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -160.91 147.51 15.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.12 171.96 7.06 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 110.246 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.1 132.63 82.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 111.092 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 173.83 13.79 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 111.032 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -150.92 20.99 0.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.356 1.035 . . . . 0.0 110.364 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.34 -75.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.59 -57.14 13.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.1 m -136.16 148.72 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.385 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' N ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -101.49 80.68 2.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.609 1.193 . . . . 0.0 109.26 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.0 95.71 5.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.593 1.183 . . . . 0.0 109.983 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.4 p -78.07 121.14 23.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 110.368 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.46 ' CB ' ' HE2' ' A' ' 44' ' ' LYS . . . -104.66 151.29 23.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -86.88 54.08 3.05 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.544 1.153 . . . . 0.0 109.38 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.46 ' HE2' ' CB ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -153.84 178.22 10.14 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.631 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -109.86 126.74 54.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.464 ' OE1' ' CG2' ' A' ' 55' ' ' THR . 0.0 OUTLIER -73.77 108.09 6.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.565 ' CG2' ' OH ' ' A' ' 45' ' ' TYR . 12.2 p -94.35 140.05 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.49 ' HB3' ' CG ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -121.75 98.23 5.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 0.0 110.933 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -74.94 126.12 30.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 110.955 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.585 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 2.2 m-85 -87.73 -55.07 3.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 111.069 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.25 -52.45 2.8 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.457 1.098 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.505 ' CG2' ' OH ' ' A' ' 23' ' ' TYR . 47.9 p -84.56 -26.38 28.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 0.783 . . . . 0.0 110.432 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 74.06 38.43 0.56 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.545 1.153 . . . . 0.0 109.6 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -133.28 164.1 27.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.464 ' CG2' ' OE1' ' A' ' 46' ' ' GLN . 0.6 OUTLIER -105.71 161.32 14.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.412 ' N ' HG22 ' A' ' 55' ' ' THR . . . -163.05 -179.66 6.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.455 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 2.6 p90 -122.65 103.76 8.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.937 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.532 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 67.4 mt -126.84 178.39 5.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.634 1.209 . . . . 0.0 109.308 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.32 -161.43 11.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -26.59 10.73 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.476 1.777 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -16.72 60.85 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.406 ' CG ' ' CD2' ' A' ' 58' ' ' LEU . 1.2 m-20 -102.48 5.58 39.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 109.378 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.597 HD11 ' CE2' ' A' ' 45' ' ' TYR . 5.0 mt -128.88 126.19 39.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.423 ' CD2' ' HD2' ' A' ' 65' ' ' PRO . 0.2 OUTLIER -124.96 144.64 47.6 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.91 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.423 ' HD2' ' CD2' ' A' ' 64' ' ' PHE . 18.5 Cg_endo -74.92 167.31 27.36 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -79.78 -39.73 30.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.37 -51.33 59.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.519 1.137 . . . . 0.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.59 -47.76 30.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.246 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 73' ' ' PHE . 9.9 m -53.74 -45.83 70.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.929 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -20.2 60.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -60.54 -44.79 95.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.49 ' HE2' ' CD1' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -103.15 -66.66 0.92 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.49 ' CD1' ' HE2' ' A' ' 72' ' ' LYS . 1.4 m-85 -132.09 -82.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.071 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.78 9.5 62.59 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.505 1.128 . . . . 0.0 111.075 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -114.66 94.76 38.21 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 109.229 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 174.86 12.06 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.459 1.768 . . . . 0.0 111.079 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.582 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 0.9 OUTLIER -49.72 127.48 16.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.456 1.097 . . . . 0.0 109.363 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.568 ' HD2' ' CZ ' ' A' ' 82' ' ' PHE . 2.5 mptp? -78.84 86.29 4.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.611 1.194 . . . . 0.0 109.267 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.554 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 13.5 mmt85 -100.96 -174.86 2.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 110.254 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.56 -53.56 22.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.403 1.064 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.69 -5.29 50.51 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.56 1.163 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.615 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 1.8 t80 -81.81 -48.5 11.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 111.054 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.573 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 30.4 t -68.52 -54.53 16.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.505 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 4.6 pt-20 -70.31 -9.25 55.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.352 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.05 -64.14 1.75 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.509 1.131 . . . . 0.0 110.927 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.573 ' CD1' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -58.68 -23.93 60.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 0.789 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.555 ' CD1' ' ND2' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -86.22 -28.87 23.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 108.009 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 1.2 mm-40 -66.75 -24.01 66.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.585 ' HB ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -100.17 -43.67 11.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.424 ' N ' HD11 ' A' ' 89' ' ' ILE . 1.4 mm-40 -69.85 -26.4 64.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.07 . . . . 0.0 110.332 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.555 ' ND2' ' CD1' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -133.5 61.68 1.67 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.429 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 9.2 p-10 -70.97 156.7 91.69 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -37.8 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 111.065 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 86.0 m -113.94 89.2 3.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.599 1.187 . . . . 0.0 110.321 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.7 p -94.27 -174.62 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.228 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.402 ' CE ' ' HB2' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -174.14 -39.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 109.305 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.402 ' HB2' ' CE ' ' A' ' 96' ' ' LYS . . . -114.92 81.73 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.236 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.95 -62.95 1.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.582 1.176 . . . . 0.0 109.98 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.67 112.66 3.24 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.612 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.457 0.17 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.6 p -164.27 159.78 20.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.965 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.407 ' N ' ' HD2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -38.74 149.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.4 t -112.04 163.45 14.26 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.483 1.114 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -75.71 179.31 5.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.479 ' CD ' ' HB3' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -86.26 -179.9 6.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.497 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 1.5 pm0 -116.32 -43.74 2.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.439 ' HD3' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -142.11 -39.87 0.36 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.439 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 3.9 pt-20 -119.47 140.74 49.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.637 1.211 . . . . 0.0 110.259 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.479 ' HB3' ' CD ' ' A' ' 6' ' ' ARG . 27.6 p90 -115.35 111.57 21.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' CYS . 2.4 ptmt -121.6 -179.95 4.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.465 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 4.7 t -41.59 135.96 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 108.349 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.9 1.2 59.95 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.1 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -102.77 127.54 49.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.408 ' CD2' ' O ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -97.99 141.72 30.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.422 ' CG2' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -159.95 179.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -90.76 108.89 20.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.589 1.181 . . . . 0.0 110.925 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.471 ' CB ' HD12 ' A' ' 63' ' ' LEU . . . -113.33 128.29 56.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.554 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -108.24 163.02 13.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.341 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -132.27 163.59 28.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.65 118.0 4.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.72 -19.12 26.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.605 1.19 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.449 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.4 t80 -103.0 134.48 19.77 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.581 0.813 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.574 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -75.05 157.45 42.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.398 1.736 . . . . 0.0 110.981 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -42.33 111.58 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.671 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.618 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -117.24 158.71 43.89 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 107.92 -179.904 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 103.13 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.79 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.408 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -122.04 152.02 40.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.09 137.16 43.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.538 HD13 ' CD2' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -63.24 142.13 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.585 1.178 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.436 ' N ' HD12 ' A' ' 30' ' ' ILE . 0.7 OUTLIER -150.45 148.88 29.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -107.58 143.0 36.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.612 1.195 . . . . 0.0 110.362 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.524 ' CG ' ' O ' ' A' ' 33' ' ' MET . 11.0 ptp -72.76 118.04 64.69 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.41 1.069 . . . . 0.0 110.959 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.91 11.96 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.616 1.85 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -131.21 36.81 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.251 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.88 -60.67 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.42 -44.25 95.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.571 1.169 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.7 p -143.36 171.11 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.2 111.36 22.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.5 t -121.4 177.53 5.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.118 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.4 p -118.95 179.83 4.04 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.71 127.7 42.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.9 p30 174.19 -34.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.449 ' HG3' ' CE ' ' A' ' 33' ' ' MET . 32.3 pttt -115.63 178.01 4.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.538 ' CD2' HD13 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -132.72 151.95 51.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.422 ' O ' ' O ' ' A' ' 31' ' ' ASP . 9.7 tt0 -96.93 134.21 40.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.8 t -125.93 130.76 72.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.234 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.594 ' CE1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -107.91 98.49 8.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.911 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -72.28 125.46 27.4 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.412 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 3.5 m-85 -88.46 -55.42 3.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 111.018 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.417 ' HA2' ' CA ' ' A' ' 85' ' ' GLY . . . -39.58 -36.85 0.75 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.06 -26.53 12.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 110.367 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 74.3 36.52 0.65 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.118 . . . . 0.0 109.619 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -127.35 163.4 24.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.594 ' OG1' ' CE1' ' A' ' 48' ' ' PHE . 18.1 m -120.09 135.57 54.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.485 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.82 169.21 17.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.098 . . . . 0.0 109.22 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.541 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 53.5 p90 -92.82 118.08 30.72 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.507 1.129 . . . . 0.0 111.04 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.417 ' CD2' ' CG ' ' A' ' 62' ' ' ASP . 19.0 mt -144.09 178.21 8.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.7 -166.39 11.75 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.419 1.074 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -17.71 19.44 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.78 -31.03 67.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.417 ' CG ' ' CD2' ' A' ' 58' ' ' LEU . 1.0 OUTLIER -93.07 -0.38 57.1 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.471 HD12 ' CB ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -109.06 135.71 49.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.344 1.027 . . . . 0.0 109.318 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.577 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -132.88 140.43 37.66 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 170.32 20.69 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.439 1.758 . . . . 0.0 111.07 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.588 ' CE2' ' CD ' ' A' ' 70' ' ' LYS . 20.7 t80 -82.59 -42.03 18.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -52.02 -50.89 60.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.265 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.82 -32.93 74.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.389 1.055 . . . . 0.0 110.376 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.491 ' CB ' ' HA3' ' A' ' 74' ' ' GLY . 0.7 OUTLIER -67.61 -52.14 41.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.595 1.184 . . . . 0.0 110.041 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.588 ' CD ' ' CE2' ' A' ' 66' ' ' TYR . 0.4 OUTLIER -68.67 -11.73 60.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -45.54 33.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.367 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -106.23 -69.75 0.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.369 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 69' ' ' SER . 42.1 m-85 -133.37 -82.5 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.942 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.491 ' HA3' ' CB ' ' A' ' 69' ' ' SER . . . 70.8 25.59 75.47 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.92 93.9 22.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 109.209 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 174.92 11.94 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.454 1.765 . . . . 0.0 111.006 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.586 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 3.2 m-80 -49.34 138.93 12.25 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.541 ' HD2' ' CD1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -89.93 88.7 7.42 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.473 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 6.4 mmt180 -100.22 -175.71 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -68.89 -47.03 66.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.593 1.183 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.78 -8.14 71.81 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.439 1.087 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.618 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 2.3 t80 -82.86 -44.12 15.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 0.79 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 4.6 t -69.64 -56.1 8.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.622 1.201 . . . . 0.0 109.975 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 6.6 pt-20 -68.34 -25.87 65.32 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.441 1.088 . . . . 0.0 110.235 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.417 ' CA ' ' HA2' ' A' ' 51' ' ' GLY . . . -72.61 -56.91 5.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.45 1.094 . . . . 0.0 111.069 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.425 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -57.56 -27.47 62.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 0.0 109.26 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.597 ' CD1' ' ND2' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -87.24 -23.55 24.69 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -69.2 -23.76 63.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.437 HD11 ' N ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -99.48 -41.66 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.207 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.437 ' N ' HD11 ' A' ' 89' ' ' ILE . 2.7 mm-40 -74.72 -27.24 60.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 110.251 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.597 ' ND2' ' CD1' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -133.68 60.98 1.69 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -64.86 112.73 8.7 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.248 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -0.49 10.03 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.573 1.828 . . . . 0.0 111.06 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.408 ' CG2' ' O ' ' A' ' 94' ' ' THR . 9.0 t -133.68 88.74 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 110.361 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.0 p -75.47 -177.75 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.406 1.066 . . . . 0.0 109.336 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.12 -41.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.09 118.17 6.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 m -81.0 151.84 28.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.077 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -146.56 141.47 9.55 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.61 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.631 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.459 0.171 . . . . 0.0 111.02 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.67 176.26 11.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.2 t -42.69 143.27 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.172 . . . . 0.0 108.285 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.18 -2.86 85.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -86.12 129.66 34.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.262 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -102.9 127.45 50.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.364 1.04 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.717 HG23 HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -145.59 178.63 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.434 1.083 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.661 ' O ' ' CE1' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -92.3 114.75 27.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.952 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.781 ' HB2' ' CD2' ' A' ' 63' ' ' LEU . . . -110.99 130.03 55.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.67 ' HD2' ' CE1' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -111.59 153.94 25.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -130.56 162.1 30.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.96 118.61 5.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.342 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.13 -14.08 51.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -111.32 134.4 21.15 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.772 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.592 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -75.0 155.35 42.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.67 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -43.02 111.77 0.3 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.388 1.055 . . . . 0.0 109.577 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.61 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -113.25 157.79 40.03 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.576 1.173 . . . . 0.0 108.015 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 102.88 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.462 1.77 . . . . 0.0 111.063 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.716 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -125.58 147.82 49.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -94.61 160.18 14.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.729 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -87.87 144.61 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.669 ' H ' HD13 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -154.16 150.0 27.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.398 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -92.33 147.97 22.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.149 . . . . 0.0 110.272 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.473 ' CG ' ' O ' ' A' ' 33' ' ' MET . 3.0 ptt? -73.95 113.56 24.37 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 111.051 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 174.77 12.2 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -144.57 41.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.624 1.203 . . . . 0.0 110.224 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.14 -70.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 109.299 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.03 -47.94 79.72 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.349 1.031 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.1 m -138.21 177.14 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.27 103.58 14.58 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.2 m -63.42 175.54 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.055 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.2 p -117.07 -172.17 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.353 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . -100.58 177.61 4.96 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.478 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 2.6 p-10 41.33 62.05 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.2 147.26 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.729 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -129.88 152.85 48.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 31' ' ' ASP . 32.0 tt0 -89.67 127.27 35.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.4 t -123.99 134.85 65.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.602 ' CE1' ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -111.31 114.12 27.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 54' ' ' GLU . 5.7 m-85 -86.94 126.29 34.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.438 1.087 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.543 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 17.6 m-85 -78.53 -58.72 3.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.59 -56.23 2.51 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.442 1.088 . . . . 0.0 111.082 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.3 p -79.57 -31.11 41.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.767 . . . . 0.0 110.434 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.7 t60 74.29 39.35 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.641 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 49' ' ' PHE . 7.8 pt-20 -140.19 159.2 42.72 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.602 ' OG1' ' CE1' ' A' ' 48' ' ' PHE . 46.1 m -98.76 148.15 24.17 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.622 1.201 . . . . 0.0 110.407 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -147.37 140.47 25.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -75.12 100.65 4.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.959 HD13 ' HB3' ' A' ' 62' ' ' ASP . 13.2 mt -131.24 172.91 11.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.088 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.07 -157.1 9.37 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.15 . . . . 0.0 110.933 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.12 -24.2 12.86 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.447 1.762 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -72.81 -20.77 61.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.959 ' HB3' HD13 ' A' ' 58' ' ' LEU . 1.2 m-20 -105.11 10.67 33.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.781 ' CD2' ' HB2' ' A' ' 18' ' ' ALA . 7.0 mt -133.92 133.02 40.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -133.8 132.9 21.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.494 ' HA ' HG12 ' A' ' 16' ' ' VAL . 18.0 Cg_endo -74.96 162.81 36.6 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.557 1.819 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.436 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 7.5 t80 -59.14 -41.39 88.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -52.89 -48.47 67.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.252 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.43 -45.6 37.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 74' ' ' GLY . 0.5 OUTLIER -56.03 -51.25 68.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.011 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.436 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -66.18 -25.06 66.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -42.81 91.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.6 -65.77 0.99 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.515 1.134 . . . . 0.0 109.205 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -131.44 -72.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.673 1.233 . . . . 0.0 110.99 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 76.02 2.3 71.29 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.46 94.17 23.34 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.567 0.804 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.425 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.2 Cg_endo -74.94 175.56 11.06 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.435 1.755 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.572 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 3.7 m120 -48.58 140.0 8.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.14 90.35 6.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.457 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 6.0 mmm180 -100.84 -175.35 2.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 0.0 110.254 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -67.93 -45.92 72.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.13 -10.36 73.53 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.542 1.151 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.61 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 3.2 t80 -82.15 -44.24 16.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 0.727 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.2 OUTLIER -66.56 -55.23 16.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.952 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -69.33 -27.02 65.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 110.209 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.449 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -69.78 -56.39 8.36 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.001 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -58.91 -28.62 66.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 0.804 . . . . 0.0 109.36 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.559 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -85.05 -22.37 29.02 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.67 -24.86 62.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.543 ' HB ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -97.49 -44.31 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.42 ' N ' HD13 ' A' ' 89' ' ' ILE . 15.6 mm-40 -74.95 -28.62 60.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.14 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.559 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.2 m120 -134.22 67.3 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.3 p30 . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.966 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.507 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 2.9 p90 . . . . . 0 N--CA 1.451 -0.378 0 CA-C-O 120.517 0.199 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -139.81 -178.74 5.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -40.48 133.96 1.82 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 108.331 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.34 -10.12 65.14 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.44 1.087 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.1 131.69 35.24 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.691 ' O ' HG13 ' A' ' 16' ' ' VAL . 0.6 OUTLIER -102.93 143.81 32.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.691 HG13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -161.97 176.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.549 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -93.97 117.38 30.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.994 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.533 ' HA ' HD23 ' A' ' 63' ' ' LEU . . . -89.6 134.62 34.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.331 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.516 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 4.1 tptt -124.61 121.65 35.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.591 1.182 . . . . 0.0 109.356 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.644 ' SD ' HD11 ' A' ' 58' ' ' LEU . 1.1 ttp -131.27 155.89 46.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.948 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -56.96 123.46 15.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.46 -18.95 30.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.539 1.149 . . . . 0.0 111.081 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 26' ' ' TRP . 25.1 t80 -110.62 122.32 38.68 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.472 0.748 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.511 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -75.0 156.92 43.0 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -41.68 114.22 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.552 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.58 ' CZ2' ' HB2' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -126.29 153.28 74.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 108.044 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.512 ' HB2' HG21 ' A' ' 89' ' ' ILE . 18.1 Cg_endo -75.06 102.87 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.401 1.738 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.532 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . . . -121.74 148.35 44.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.405 1.065 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.59 ' HA ' HD13 ' A' ' 15' ' ' LEU . 11.5 ptt180 -96.19 153.96 17.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.603 1.189 . . . . 0.0 110.21 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.953 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -80.55 146.2 7.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 109.18 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.477 ' H ' HD13 ' A' ' 30' ' ' ILE . 1.3 m-20 -148.42 152.24 36.63 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.232 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -108.61 154.03 22.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.547 ' SD ' ' NE2' ' A' ' 46' ' ' GLN . 7.9 mmm -82.27 115.34 57.25 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.591 1.182 . . . . 0.0 110.949 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 169.2 23.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -142.48 33.46 1.46 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 110.339 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -99.66 -70.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.67 -44.98 66.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.372 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.3 m -142.63 162.37 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.78 102.91 12.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.248 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 m -107.82 168.04 9.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.971 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.1 p -86.32 124.13 32.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.113 . . . . 0.0 110.406 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.92 122.29 28.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -163.01 -43.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.58 1.175 . . . . 0.0 109.353 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.47 178.69 4.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.953 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -111.77 152.3 27.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.547 ' NE2' ' SD ' ' A' ' 33' ' ' MET . 1.2 tt0 -89.16 138.33 31.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.4 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.483 ' O ' HG23 ' A' ' 55' ' ' THR . 0.4 OUTLIER -128.38 140.54 48.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.393 1.058 . . . . 0.0 109.348 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.603 ' CE2' ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -131.83 109.81 10.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 111.028 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.452 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 4.7 m-85 -80.99 120.89 25.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.564 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 5.2 m-85 -71.28 -58.42 3.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.989 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.95 -56.08 2.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.3 p -81.51 -31.07 33.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 0.752 . . . . 0.0 110.383 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' PHE . 7.6 t-80 74.54 37.84 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.659 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -121.42 177.95 4.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.603 ' OG1' ' CE2' ' A' ' 48' ' ' PHE . 24.6 m -134.11 150.84 51.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 110.412 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -156.77 171.87 19.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.232 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.836 ' C ' HD12 ' A' ' 58' ' ' LEU . 47.3 p90 -97.19 105.3 17.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.904 HD23 ' HB3' ' A' ' 62' ' ' ASP . 8.3 mp -133.46 177.65 7.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.26 -157.17 8.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -75.01 -27.74 9.75 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.482 1.78 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -69.76 -42.87 73.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.904 ' HB3' HD23 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -73.54 -8.65 56.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.533 HD23 ' HA ' ' A' ' 18' ' ' ALA . 15.7 mt -113.06 115.98 29.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.537 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 1.9 m-85 -103.21 142.57 24.85 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.375 1.047 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 64' ' ' PHE . 18.0 Cg_endo -75.02 166.49 29.07 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.539 1.81 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.594 ' CE1' ' CD ' ' A' ' 70' ' ' LYS . 5.9 t80 -81.82 -37.75 26.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.81 -49.97 69.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.235 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -68.85 -33.78 74.38 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.488 1.118 . . . . 0.0 110.34 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.486 ' CB ' ' HA3' ' A' ' 74' ' ' GLY . 0.7 OUTLIER -64.95 -53.6 43.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.977 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.594 ' CD ' ' CE1' ' A' ' 66' ' ' TYR . 3.2 pttm -66.92 -16.28 64.22 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.56 -49.13 61.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.43 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.3 -69.05 0.82 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.611 1.195 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' A' ' 69' ' ' SER . 1.5 m-85 -133.05 -83.52 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 111.009 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.486 ' HA3' ' CB ' ' A' ' 69' ' ' SER . . . 72.33 9.16 72.35 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -113.54 95.53 36.75 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.47 0.747 . . . . 0.0 109.344 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.467 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.3 Cg_endo -75.02 174.01 13.53 Favored 'Trans proline' 0 C--N 1.362 1.249 0 O-C-N 124.541 1.811 . . . . 0.0 111.052 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.526 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 4.9 m120 -49.6 130.61 20.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.208 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.607 ' CD ' ' CE1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -83.49 87.42 7.0 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.527 1.142 . . . . 0.0 109.381 179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.49 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 25.0 mmt85 -99.98 -174.54 2.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.076 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -49.86 55.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -70.22 -9.15 63.39 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.619 1.2 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.607 ' CE1' ' CD ' ' A' ' 78' ' ' LYS . 1.6 t80 -81.77 -44.58 16.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 0.8 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 22.9 t -67.28 -55.98 11.68 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.592 1.182 . . . . 0.0 109.997 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 5.1 pt-20 -69.41 -23.01 63.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.457 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -74.18 -57.09 4.9 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.973 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -58.52 -27.97 64.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 0.794 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.559 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -86.55 -22.06 26.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -70.66 -24.11 62.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.564 ' HB ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -97.71 -43.79 12.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.463 ' N ' HD13 ' A' ' 89' ' ' ILE . 1.9 mm-40 -74.78 -29.49 61.13 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 0.0 110.348 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.559 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.1 m120 -134.08 68.62 1.48 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 109.441 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.0 p30 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.941 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.567 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 2.7 p90 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.489 0.185 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' CYS . 2.5 mtpp -138.86 -179.99 6.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' LYS . 28.9 p -39.19 136.2 0.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 108.222 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.99 -6.44 81.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -87.02 129.09 35.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.56 ' C ' HD13 ' A' ' 15' ' ' LEU . 2.9 tm? -104.53 130.69 52.45 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.162 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.871 HG23 HD22 ' A' ' 63' ' ' LEU . 1.5 m -148.38 179.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.236 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.522 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -91.25 125.68 36.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.92 ' HB2' ' CD2' ' A' ' 63' ' ' LEU . . . -125.1 135.29 52.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -122.32 149.5 43.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.422 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -131.15 160.84 33.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.89 122.42 12.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.17 -20.32 30.26 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.728 ' OH ' HG23 ' A' ' 52' ' ' THR . 5.5 t80 -111.11 131.92 21.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.951 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.462 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.6 Cg_endo -74.89 155.14 43.46 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.471 1.774 . . . . 0.0 111.052 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -41.08 116.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.664 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.59 ' CZ2' ' HB2' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -123.61 157.33 62.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.6 1.188 . . . . 0.0 107.952 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.523 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -74.99 103.64 1.77 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.687 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -121.76 145.77 47.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -94.28 160.19 14.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.333 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.775 HD13 ' H ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -85.95 147.32 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.15 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.775 ' H ' HD13 ' A' ' 30' ' ' ILE . 3.3 m-20 -156.67 150.51 24.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.88 152.26 18.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.08 117.78 65.51 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 171.35 18.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.42 1.747 . . . . 0.0 111.008 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -145.59 36.08 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.58 -65.79 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.232 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.56 -49.16 77.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.359 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.8 m -137.41 177.08 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.352 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.92 107.62 19.17 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.1 m -68.47 176.45 2.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.044 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 48.4 p -115.67 -173.32 2.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -103.41 -179.92 4.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.443 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 2.3 p-10 41.28 59.88 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.37 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.513 ' HE3' ' CD1' ' A' ' 57' ' ' PHE . 4.2 ptmm? -172.48 147.26 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.717 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -127.83 152.35 47.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 31' ' ' ASP . 34.8 tt0 -93.02 130.61 38.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 110.248 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.491 HG11 ' HE1' ' A' ' 49' ' ' PHE . 1.7 t -125.77 139.91 50.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.47 1.106 . . . . 0.0 109.217 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.58 ' CE1' ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -115.84 109.69 18.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 111.076 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.491 ' HE1' HG11 ' A' ' 47' ' ' VAL . 3.5 m-85 -81.18 126.1 31.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.517 ' CG ' ' HB ' ' A' ' 89' ' ' ILE . 9.8 m-85 -77.22 -59.05 2.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.165 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . -38.45 -56.64 1.93 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.728 HG23 ' OH ' ' A' ' 23' ' ' TYR . 23.8 p -81.49 -31.27 32.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.397 0.704 . . . . 0.0 110.352 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.5 t60 74.61 39.14 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.6 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -136.76 154.81 50.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.075 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.58 ' OG1' ' CE1' ' A' ' 48' ' ' PHE . 23.5 m -96.18 151.64 19.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -153.7 150.4 28.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.251 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.771 ' C ' HD12 ' A' ' 58' ' ' LEU . 25.7 m-85 -76.68 109.56 10.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.81 HD23 ' HB3' ' A' ' 62' ' ' ASP . 6.7 mp -141.54 176.99 8.44 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.516 1.135 . . . . 0.0 109.365 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.58 -155.85 6.61 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.454 1.096 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.3 Cg_endo -74.92 -25.18 12.28 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.579 1.831 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.28 -28.85 64.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.81 ' HB3' HD23 ' A' ' 58' ' ' LEU . 15.8 m-20 -96.62 -2.29 45.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.92 ' CD2' ' HB2' ' A' ' 18' ' ' ALA . 11.7 mt -117.55 143.64 45.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.403 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 1.2 t80 -135.91 145.73 53.9 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.487 1.117 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 64' ' ' PHE . 18.3 Cg_endo -74.98 166.16 29.8 Favored 'Trans proline' 0 C--N 1.362 1.259 0 O-C-N 124.474 1.776 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.433 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 5.1 t80 -81.77 -35.47 29.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -50.49 72.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.23 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -68.94 -47.65 65.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.435 ' HB2' ' CA ' ' A' ' 74' ' ' GLY . 5.4 p -59.16 -51.37 70.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.974 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.433 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -68.01 -13.7 62.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -50.91 41.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.28 -67.67 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' SER . 6.1 m-85 -132.55 -85.35 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 111.045 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.435 ' CA ' ' HB2' ' A' ' 69' ' ' SER . . . 71.26 9.9 68.58 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -113.89 95.25 37.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.477 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.3 Cg_endo -75.06 174.94 11.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.546 1.814 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.463 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 3.2 m120 -49.09 136.48 14.72 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.511 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -90.47 91.48 8.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.098 . . . . 0.0 109.355 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 6.1 mmt180 -100.54 -175.44 2.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.358 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -43.47 78.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.76 -10.61 80.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.42 1.075 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.59 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 3.3 t80 -81.52 -46.5 14.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 0.786 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.1 OUTLIER -66.17 -55.3 16.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.168 . . . . 0.0 110.024 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -69.32 -26.3 64.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.267 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.447 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -69.79 -57.09 7.45 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.933 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.62 -30.43 67.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.633 0.843 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.548 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -82.99 -20.94 34.17 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.51 -24.15 60.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.517 ' HB ' ' CG ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -98.21 -45.05 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.234 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.423 ' N ' HD13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -74.57 -28.59 61.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.342 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.533 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.2 m120 -134.48 61.27 1.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.585 1.178 . . . . 0.0 109.225 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.9 p30 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.498 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 2.8 p90 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.523 0.201 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.34 -179.7 5.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.7 t -43.0 142.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 108.194 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.85 -21.87 40.48 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.538 1.149 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.05 138.48 40.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.395 0.703 . . . . 0.0 109.282 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.824 ' O ' HG13 ' A' ' 16' ' ' VAL . 34.2 tp -112.82 141.74 46.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.407 1.067 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.96 HG23 HD22 ' A' ' 63' ' ' LEU . 2.2 m -164.01 178.33 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -92.52 120.15 32.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.585 ' HA ' HD23 ' A' ' 63' ' ' LEU . . . -88.04 147.57 24.92 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.576 1.172 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 6.8 tptm -137.27 118.39 14.43 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.557 ' SD ' HD21 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -134.22 165.56 24.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.68 135.63 51.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.0 6.24 12.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.425 1.078 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.609 ' CE1' ' HB2' ' A' ' 26' ' ' TRP . 15.2 t80 -126.81 115.18 22.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 0.0 110.955 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.574 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -74.91 156.9 43.41 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.479 1.778 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -46.76 117.72 1.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.608 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.609 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -134.03 158.56 75.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.601 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.3 Cg_endo -74.91 103.44 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.532 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -121.54 145.55 47.84 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.477 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -94.85 140.46 29.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.853 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -73.37 141.37 16.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.506 ' O ' ' CB ' ' A' ' 46' ' ' GLN . 5.4 m-20 -144.9 147.52 32.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -96.75 148.55 22.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.305 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.414 ' CG ' ' O ' ' A' ' 33' ' ' MET . 5.6 ptm -77.88 118.48 72.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.179 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 174.06 13.44 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.533 1.807 . . . . 0.0 111.032 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -103.86 29.75 5.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.259 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.17 -63.74 1.37 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.56 -46.54 85.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -143.25 177.06 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.0 144.62 57.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.1 t -96.61 74.38 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.062 . . . . 0.0 110.07 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.512 HG22 ' H ' ' A' ' 42' ' ' ALA . 86.8 m -117.09 174.2 6.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.501 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.512 ' H ' HG22 ' A' ' 41' ' ' THR . . . -100.57 127.84 46.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.419 1.074 . . . . 0.0 109.353 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.3 p30 168.93 -32.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -146.31 144.3 29.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.853 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -104.7 152.19 22.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.506 ' CB ' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -84.32 133.09 34.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.665 HG11 HD12 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -124.64 145.51 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.249 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.6 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -137.42 113.73 10.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.154 . . . . 0.0 110.978 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.414 ' HB2' ' OG1' ' A' ' 52' ' ' THR . 3.7 m-85 -85.7 129.79 34.73 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.551 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 12.8 m-85 -79.85 -60.61 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.06 -57.54 2.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.569 1.168 . . . . 0.0 111.052 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.414 ' OG1' ' HB2' ' A' ' 49' ' ' PHE . 33.9 p -78.94 -28.71 43.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 0.766 . . . . 0.0 110.485 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 70.69 40.71 0.98 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 109.583 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -123.06 165.39 16.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.6 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 1.3 m -123.32 143.24 50.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.407 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.448 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -153.03 -179.69 7.91 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.464 1.103 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.457 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 41.6 p90 -107.49 115.22 29.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.694 HD22 ' CG ' ' A' ' 62' ' ' ASP . 95.2 mt -141.5 176.74 8.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.1 -157.17 8.96 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -29.5 8.14 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.538 1.81 . . . . 0.0 111.053 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -35.03 77.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.694 ' CG ' HD22 ' A' ' 58' ' ' LEU . 2.5 m-20 -86.73 2.0 50.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.377 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.96 HD22 HG23 ' A' ' 16' ' ' VAL . 15.2 mt -121.55 120.76 35.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -112.11 140.45 23.54 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.395 1.059 . . . . 0.0 110.998 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 64' ' ' PHE . 18.3 Cg_endo -75.11 169.69 22.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -82.47 -39.22 22.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -51.26 64.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -47.62 75.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.491 ' CB ' ' HA3' ' A' ' 74' ' ' GLY . 1.2 p -55.91 -50.2 71.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.029 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -11.73 61.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.28 -49.73 53.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.0 -67.6 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 69' ' ' SER . 0.2 OUTLIER -132.83 -75.64 0.49 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.591 1.182 . . . . 0.0 110.995 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.491 ' HA3' ' CB ' ' A' ' 69' ' ' SER . . . 61.06 33.42 83.99 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -129.86 94.65 30.95 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.462 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.6 Cg_endo -74.98 173.74 13.99 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.789 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -49.93 111.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 109.245 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.406 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -71.15 86.05 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.475 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 24.3 mmt180 -100.59 -175.93 3.05 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.589 1.181 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -65.75 -43.68 88.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.29 -10.64 60.19 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.528 1.142 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.475 ' HB3' ' O ' ' A' ' 79' ' ' ARG . 1.2 t80 -80.52 -50.43 10.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.411 0.713 . . . . 0.0 111.089 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -65.9 -54.08 31.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.964 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -70.71 -16.14 62.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.568 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -78.11 -59.45 2.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.824 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.41 -26.26 63.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.554 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -87.1 -22.54 25.33 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.37 -21.73 61.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.577 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -100.92 -41.57 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.362 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.537 ' N ' HD13 ' A' ' 89' ' ' ILE . 6.1 mm-40 -77.74 -26.91 50.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.389 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.554 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.7 m120 -133.53 66.6 1.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.593 1.183 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.55 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 4.0 p90 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.47 0.176 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.2 179.44 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.47 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 2.4 t -52.21 149.3 5.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 108.296 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.08 2.39 90.58 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.513 1.133 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -92.81 136.29 33.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.647 0.851 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.831 HD22 ' N ' ' A' ' 16' ' ' VAL . 1.0 OUTLIER -99.79 137.22 38.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.831 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -154.04 177.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.224 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -93.1 116.18 28.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.813 ' HB2' HD11 ' A' ' 63' ' ' LEU . . . -102.63 125.32 49.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.475 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 2.6 tttm -108.69 142.76 38.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.487 ' O ' ' O ' ' A' ' 23' ' ' TYR . 3.0 ttp -130.19 154.02 47.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -56.76 124.76 19.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.59 -19.05 34.69 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.726 ' CE2' ' CD2' ' A' ' 26' ' ' TRP . 2.1 t80 -115.99 134.54 22.73 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.432 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 18.3 Cg_endo -75.02 169.99 21.39 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.026 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.475 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -45.68 121.04 2.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.554 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.726 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -124.3 145.14 47.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.712 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.5 Cg_endo -74.89 106.32 2.25 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.442 1.759 . . . . 0.0 111.061 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.512 ' HB2' ' HA ' ' A' ' 49' ' ' PHE . . . -128.34 157.9 39.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 5.7 ptt180 -99.27 150.99 21.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.801 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -78.72 145.18 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.222 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.511 ' H ' HD13 ' A' ' 30' ' ' ILE . 1.0 OUTLIER -150.99 147.11 26.74 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -106.05 163.09 13.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.369 1.043 . . . . 0.0 110.283 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.73 134.72 75.25 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.999 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 163.8 34.52 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.514 1.797 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -144.04 31.41 1.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.399 1.062 . . . . 0.0 110.375 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.35 -62.89 1.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.05 -56.06 26.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.9 m -137.77 177.17 5.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.03 99.16 8.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.27 -176.74 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.998 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.5 p -117.41 134.48 54.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.66 123.38 28.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.6 p30 171.22 -33.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.51 168.94 10.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.603 1.189 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.801 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -122.17 144.61 48.84 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.395 1.059 . . . . 0.0 111.005 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.63 140.93 31.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.1 t -137.54 132.1 44.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.603 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -109.46 107.46 17.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.042 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.512 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 5.8 m-85 -76.52 119.39 20.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 29' ' ' ARG . 49.0 m-85 -72.8 -31.49 64.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.43 ' HA3' ' NE1' ' A' ' 26' ' ' TRP . . . -59.33 -56.99 22.06 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 111.072 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.3 p -87.79 -23.12 24.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 110.373 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 49' ' ' PHE . 8.4 t-160 72.19 40.21 0.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.405 1.066 . . . . 0.0 109.65 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -133.75 155.45 49.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.426 1.079 . . . . 0.0 110.23 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.603 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 2.3 m -97.48 116.03 28.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.395 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.58 150.19 33.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.618 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 41.0 p90 -86.4 109.66 19.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 0.0 111.025 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.636 HD22 ' CG ' ' A' ' 62' ' ' ASP . 66.5 mt -134.46 176.75 8.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.162 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.08 -162.57 12.38 Favored Glycine 0 CA--C 1.528 0.904 0 O-C-N 124.614 1.197 . . . . 0.0 111.067 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.416 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -75.01 -33.12 4.8 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.419 1.747 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -38.26 87.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.636 ' CG ' HD22 ' A' ' 58' ' ' LEU . 2.3 m-20 -72.05 -10.22 59.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.813 HD11 ' HB2' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -113.98 116.63 29.52 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.407 1.067 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.413 ' HB2' ' NE2' ' A' ' 25' ' ' HIS . 1.5 m-85 -122.3 148.86 53.44 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 167.57 26.75 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.505 1.792 . . . . 0.0 110.962 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.56 ' CE2' ' HD2' ' A' ' 70' ' ' LYS . 8.8 t80 -70.66 -38.09 73.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.169 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.0 -50.23 61.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.563 1.164 . . . . 0.0 110.264 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 71' ' ' GLU . 1.4 mt-10 -65.9 -47.92 73.19 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 74' ' ' GLY . 0.3 OUTLIER -51.99 -53.1 45.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.563 1.164 . . . . 0.0 109.943 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.56 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -62.34 -23.4 66.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 4.1 tt0 -60.84 -44.05 97.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.44 -66.7 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 3.0 p90 -133.09 -52.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 111.037 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 69.72 1.59 31.94 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.531 1.145 . . . . 0.0 111.087 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -133.13 98.22 15.84 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.474 0.749 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.47 11.19 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.059 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.639 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 2.5 m120 -48.34 117.07 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.612 1.195 . . . . 0.0 109.221 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.673 ' CD ' ' CZ ' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -73.33 75.82 1.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.592 1.182 . . . . 0.0 109.235 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.49 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 13.1 mmt180 -90.75 -173.67 3.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -66.58 -63.4 1.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -61.79 -11.69 31.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.107 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.673 ' CZ ' ' CD ' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -78.52 -38.81 39.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.594 0.82 . . . . 0.0 111.057 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.3 t -74.24 -58.13 3.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.575 1.172 . . . . 0.0 110.066 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 88' ' ' GLU . 4.8 pt-20 -63.64 -30.88 71.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.59 1.181 . . . . 0.0 110.341 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.547 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -68.77 -53.7 18.49 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.578 1.174 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.804 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -61.18 -28.18 68.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.759 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.567 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -87.03 -21.55 26.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 107.921 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' GLU . 5.2 mt-10 -70.19 -27.09 64.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.574 HG21 ' HB2' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -95.21 -43.94 13.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.503 ' N ' HD13 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -73.58 -30.99 63.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.343 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.535 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.2 m120 -133.88 69.33 1.47 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.7 p30 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.56 1.163 . . . . 0.0 109.365 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.541 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 5.0 p90 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.503 0.192 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 14' ' ' ASP . 2.9 mtpt -128.62 173.43 10.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.463 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 0.6 OUTLIER -46.95 141.27 4.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 108.276 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.02 -2.71 88.15 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 7.9 t70 -88.04 141.15 28.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 0.732 . . . . 0.0 109.39 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.902 HD22 ' N ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -103.3 141.51 35.79 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 0.0 109.254 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.902 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -155.25 178.29 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -91.88 116.12 28.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.396 1.06 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.919 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -112.36 131.27 55.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.427 ' HB3' ' ND1' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -120.24 155.39 33.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.35 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.55 164.46 26.58 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -57.03 118.23 4.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.378 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.0 -18.88 29.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.438 1.086 . . . . 0.0 111.041 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.61 ' OH ' HG23 ' A' ' 52' ' ' THR . 4.3 t80 -103.03 132.44 21.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.599 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -75.04 154.59 42.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.489 ' CE1' ' HB2' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -42.92 111.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.638 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.624 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -114.75 153.61 46.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 107.948 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.548 ' HB2' HG21 ' A' ' 89' ' ' ILE . 18.5 Cg_endo -74.96 103.61 1.76 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.55 1.816 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.694 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -123.98 149.71 45.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -92.68 160.51 14.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.728 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -86.65 145.69 7.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.391 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.722 ' H ' HD13 ' A' ' 30' ' ' ILE . 1.0 OUTLIER -156.49 151.23 25.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.155 . . . . 0.0 109.329 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -90.19 143.15 27.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.419 ' SD ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -73.23 145.22 85.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 111.003 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 33' ' ' MET . 18.2 Cg_endo -75.04 165.1 31.98 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.39 1.732 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -139.12 26.59 2.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.2 -48.31 2.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.13 -47.8 33.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.4 m -143.11 177.27 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.338 1.024 . . . . 0.0 109.316 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.05 157.23 17.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 p -92.96 165.32 12.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.03 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 57.0 p -120.21 -171.9 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.75 133.99 54.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.418 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 3.4 p-10 40.54 82.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.373 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.419 ' O ' ' SD ' ' A' ' 33' ' ' MET . 14.7 tttp -144.91 128.23 16.83 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.728 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -134.56 152.35 51.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.413 ' O ' ' O ' ' A' ' 31' ' ' ASP . 8.5 tt0 -91.39 141.54 28.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.174 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.469 HG13 ' HB1' ' A' ' 28' ' ' ALA . 2.1 t -136.16 146.01 29.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.281 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.592 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -118.21 107.37 13.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 111.064 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -77.65 127.97 33.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.562 1.164 . . . . 0.0 111.057 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 20.1 m-85 -81.27 -57.2 3.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.48 -48.49 2.99 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.61 HG23 ' OH ' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -91.18 -30.31 16.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.747 . . . . 0.0 110.366 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 42.9 t60 74.41 38.69 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.611 1.194 . . . . 0.0 109.593 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -131.57 149.17 52.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.259 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.592 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 2.8 m -94.49 112.77 24.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.433 1.083 . . . . 0.0 110.384 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -116.73 147.68 41.79 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.599 1.187 . . . . 0.0 109.285 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 5.1 p90 -84.53 121.96 28.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.91 HD22 ' CG ' ' A' ' 62' ' ' ASP . 82.9 mt -140.91 174.81 10.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.17 . . . . 0.0 109.242 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -116.38 -159.39 11.74 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -38.72 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -62.37 -42.87 99.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.615 1.197 . . . . 0.0 109.304 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.91 ' CG ' HD22 ' A' ' 58' ' ' LEU . 1.9 m-20 -63.56 -24.32 67.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.919 ' CD1' ' HB2' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -98.01 145.46 26.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.391 1.057 . . . . 0.0 109.312 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.489 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -137.98 138.84 24.4 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 110.973 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.401 ' O ' ' CB ' ' A' ' 69' ' ' SER . 17.9 Cg_endo -75.11 173.95 13.62 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.438 1.757 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.503 ' HA ' ' HG ' ' A' ' 69' ' ' SER . 0.5 OUTLIER -80.93 -31.44 35.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.901 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 2.5 tt0 -71.25 -43.94 66.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -75.53 -48.17 23.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.579 1.174 . . . . 0.0 110.199 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.503 ' HG ' ' HA ' ' A' ' 66' ' ' TYR . 87.4 p -55.24 -47.16 75.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -69.75 -23.81 63.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 67' ' ' GLU . 8.9 tt0 -59.69 -43.96 93.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.234 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -93.74 -67.81 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 109.348 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -132.64 -66.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 72.99 0.61 52.74 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.587 1.18 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -128.15 95.37 33.99 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 174.47 12.74 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.462 1.77 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.597 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 5.2 m120 -49.57 133.01 21.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.548 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -84.27 84.55 7.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.493 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 9.7 mmt-85 -96.57 -174.44 3.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.347 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -68.79 -50.67 48.35 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.445 1.091 . . . . 0.0 109.257 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -71.04 -7.2 62.03 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.417 1.073 . . . . 0.0 110.989 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.624 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 2.0 t80 -82.97 -46.01 13.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.763 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.6 OUTLIER -66.96 -54.53 21.02 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 88' ' ' GLU . 6.5 pt-20 -69.08 -31.86 70.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 110.318 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.575 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -66.23 -52.44 36.25 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.777 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -62.36 -28.16 69.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 0.782 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.581 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -86.28 -20.75 27.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 108.017 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.9 OUTLIER -72.39 -25.81 61.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.768 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -97.55 -41.33 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.568 ' N ' HD13 ' A' ' 89' ' ' ILE . 6.3 mt-10 -76.78 -31.31 56.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.526 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.4 m120 -133.4 72.34 1.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.377 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.251 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.547 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 8.4 p90 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.532 0.206 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 12' ' ' CYS . 0.4 OUTLIER -139.51 -179.91 6.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 11' ' ' LYS . 5.6 t -41.35 146.41 0.21 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.123 . . . . 0.0 108.28 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.52 -1.06 88.45 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.558 1.161 . . . . 0.0 111.032 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -88.07 131.03 34.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 0.753 . . . . 0.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.957 HD22 ' N ' ' A' ' 16' ' ' VAL . 0.4 OUTLIER -100.86 135.82 41.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.957 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.01 178.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -91.7 117.97 30.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.528 ' HB2' ' HB3' ' A' ' 28' ' ' ALA . . . -89.27 138.92 31.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.557 1.161 . . . . 0.0 109.22 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 8.0 tptt -132.35 119.53 20.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.569 1.168 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.765 ' SD ' HD21 ' A' ' 58' ' ' LEU . 1.5 ttt -134.42 168.13 19.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -57.14 136.46 56.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.7 9.27 12.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.603 ' CE1' ' HB2' ' A' ' 26' ' ' TRP . 16.4 t80 -128.47 114.62 19.64 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.478 0.752 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.579 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -75.01 156.44 42.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.537 ' CE1' ' HB2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -46.25 116.4 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.337 1.023 . . . . 0.0 109.584 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.613 ' CZ2' ' HB2' ' A' ' 82' ' ' PHE . 0.7 OUTLIER -132.29 159.04 73.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.664 ' HB2' HG21 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.92 102.73 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.477 1.777 . . . . 0.0 111.008 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . . . -122.44 148.8 44.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.55 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 14.3 ttt180 -101.56 138.19 38.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.356 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.563 HD11 ' CD1' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -65.49 149.11 11.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.376 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -150.99 153.49 35.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 109.255 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.45 ' O ' ' NE2' ' A' ' 46' ' ' GLN . 9.8 tt0 -107.35 167.52 9.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.537 1.148 . . . . 0.0 110.361 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.424 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -75.07 137.44 72.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 110.912 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 33' ' ' MET . 18.5 Cg_endo -75.09 167.53 26.76 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.43 1.753 . . . . 0.0 110.972 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -146.07 29.52 1.08 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.49 1.119 . . . . 0.0 110.243 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.16 -57.46 2.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.413 1.07 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.8 -58.49 4.94 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.8 m -136.16 177.16 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 109.358 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.58 76.6 1.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.35 165.79 0.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.3 p -92.09 125.22 36.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.452 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.54 124.01 29.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.2 p30 169.78 -32.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 109.239 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -108.77 177.05 4.89 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.563 ' CD1' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -117.25 152.24 35.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.979 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 31' ' ' ASP . 1.3 tt0 -94.86 135.86 35.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.407 1.067 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.422 HG11 HD12 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -119.74 139.48 46.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.505 1.128 . . . . 0.0 109.377 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.22 103.12 6.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -76.81 121.86 23.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 29' ' ' ARG . 3.0 m-85 -77.22 -59.41 2.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.31 -56.56 2.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.4 p -80.69 -29.52 36.51 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 0.773 . . . . 0.0 110.4 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 74.44 38.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.533 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.04 179.08 4.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.78 161.79 36.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -174.23 179.53 1.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.581 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 42.6 p90 -111.96 105.39 13.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 111.065 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.765 HD21 ' SD ' ' A' ' 20' ' ' MET . 71.4 mt -123.17 177.44 5.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.365 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.2 -157.56 10.6 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.415 1.072 . . . . 0.0 111.054 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -75.05 -43.07 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.95 -43.21 86.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.746 ' CG ' HD22 ' A' ' 58' ' ' LEU . 1.7 m-20 -64.81 -12.03 43.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -112.72 116.66 30.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.5 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -110.87 138.36 21.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 64' ' ' PHE . 18.5 Cg_endo -74.86 170.06 21.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.477 1.777 . . . . 0.0 110.977 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.58 ' CE2' ' HD2' ' A' ' 70' ' ' LYS . 17.3 t80 -82.17 -40.24 22.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 111.065 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.9 -51.92 53.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 110.26 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.21 -47.0 69.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.46 ' HB2' ' CA ' ' A' ' 74' ' ' GLY . 19.7 p -54.9 -50.44 68.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.073 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.58 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -68.94 -15.92 63.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -44.18 74.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -106.38 -68.13 0.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' SER . 8.4 m-85 -133.06 -85.56 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 111.054 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.46 ' CA ' ' HB2' ' A' ' 69' ' ' SER . . . 72.08 18.86 78.13 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.077 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.57 93.75 47.72 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.568 0.805 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.497 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.3 Cg_endo -74.95 173.94 13.63 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.442 1.759 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.496 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 5.6 m120 -49.27 125.83 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.502 ' HD3' ' CD1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -81.26 86.41 6.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.411 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.52 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 22.5 mmt180 -99.93 -174.76 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 110.279 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -68.26 -47.68 67.08 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.417 1.073 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.64 -7.36 69.06 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.613 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 1.8 t80 -82.39 -47.51 12.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 0.731 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 47.3 t -66.99 -53.48 31.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.441 1.088 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 88' ' ' GLU . 5.7 pt-20 -69.29 -31.39 69.85 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.564 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -66.34 -54.96 20.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 0.0 111.083 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.802 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -59.65 -28.35 67.17 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.41 0.712 . . . . 0.0 109.354 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.605 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -86.24 -21.37 27.45 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.4 OUTLIER -72.14 -24.23 61.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.808 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -99.74 -43.68 11.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.642 ' N ' HD13 ' A' ' 89' ' ' ILE . 10.3 mm-40 -74.32 -30.17 61.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.527 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.9 m120 -132.96 69.9 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.2 p30 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.6 p90 . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.44 0.162 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -136.41 -179.75 5.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 11' ' ' LYS . 29.9 p -40.73 145.71 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 108.327 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.09 -1.24 86.51 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.92 135.34 38.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 0.785 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.599 HD22 ' HG3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -111.87 133.97 53.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.676 HG13 ' N ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -164.2 178.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.676 ' N ' HG13 ' A' ' 16' ' ' VAL . 3.0 m-85 -93.39 108.82 20.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.81 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -89.44 144.63 25.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.482 ' HD3' ' CG ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -115.53 136.93 52.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.469 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -126.26 150.6 48.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 110.98 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.59 124.58 17.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.396 1.06 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.2 -19.23 28.02 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.602 ' OH ' ' CZ2' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -113.71 131.82 22.88 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 110.994 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.1 Cg_endo -74.99 175.34 11.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.505 ' CD2' ' HB2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -43.74 121.18 2.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.606 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.692 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.5 OUTLIER -130.4 144.69 54.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.692 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -75.07 108.22 2.66 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.553 1.817 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.477 ' HB2' ' HA ' ' A' ' 49' ' ' PHE . . . -133.21 158.97 41.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.599 ' HG3' HD22 ' A' ' 15' ' ' LEU . 38.6 ttp180 -102.25 160.37 14.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.585 ' CD1' ' CE1' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -88.24 149.8 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -158.01 150.17 22.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.76 148.1 25.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.71 113.52 23.63 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 111.002 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.88 12.02 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.431 1.753 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -139.26 29.68 2.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.337 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.19 -57.11 2.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.235 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.28 -52.62 45.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 m -139.09 177.06 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.7 128.91 42.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.1 p -104.57 176.95 4.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.937 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.9 p -120.07 -178.72 3.73 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.521 1.138 . . . . 0.0 110.348 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -93.19 179.75 5.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.093 . . . . 0.0 109.227 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.476 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 3.1 p-10 40.46 67.33 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.41 141.53 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.367 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.585 ' CE1' ' CD1' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -125.68 150.0 48.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.947 -179.896 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 31' ' ' ASP . 24.5 tt0 -97.36 133.97 41.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.796 HG11 HD12 ' A' ' 58' ' ' LEU . 1.3 t -126.74 134.2 66.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.555 ' CE1' ' HB ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -108.25 104.35 13.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.477 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 2.6 m-85 -74.45 115.69 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.504 ' HE2' HD21 ' A' ' 15' ' ' LEU . 3.0 m-85 -80.8 -9.82 59.78 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.579 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . -76.2 -57.06 4.12 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.557 1.161 . . . . 0.0 110.963 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 57.6 p -86.54 -14.77 42.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.43 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.8 t60 74.29 37.44 0.59 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.632 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -141.52 160.13 40.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.555 ' HB ' ' CE1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -107.31 135.4 48.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.499 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.97 162.45 30.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.505 ' CG ' ' O ' ' A' ' 57' ' ' PHE . 6.4 p90 -81.36 126.57 31.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.179 . . . . 0.0 111.069 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.829 HD22 ' CG ' ' A' ' 62' ' ' ASP . 87.7 mt -152.2 178.23 9.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.355 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.88 -154.7 8.35 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.391 1.057 . . . . 0.0 111.032 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -41.13 0.7 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.382 1.727 . . . . 0.0 111.02 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.3 tptt -57.94 -48.47 79.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.829 ' CG ' HD22 ' A' ' 58' ' ' LEU . 11.8 m-20 -56.13 -30.72 62.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.603 1.189 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.81 ' CD1' ' HB2' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -91.62 117.58 29.86 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.422 ' HB2' ' NE2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -123.45 137.61 28.78 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.972 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.545 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 18.2 Cg_endo -75.04 169.86 21.68 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.45 1.763 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.523 ' CZ ' ' HD2' ' A' ' 70' ' ' LYS . 6.0 t80 -73.26 -36.19 66.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.7 -48.7 74.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.157 . . . . 0.0 110.321 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.25 -48.13 37.38 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.576 1.172 . . . . 0.0 110.334 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 74' ' ' GLY . 3.2 t -52.07 -51.4 57.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.523 ' HD2' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -65.64 -27.16 68.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -56.31 -41.49 76.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.612 ' HG3' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -102.93 -59.59 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.239 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.612 ' CD2' ' HG3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -127.71 -76.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 82.44 -3.32 82.48 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.65 97.66 15.57 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.763 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.445 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.2 Cg_endo -75.07 175.33 11.39 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.478 1.778 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.659 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 5.2 m-20 -48.91 118.95 2.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.589 ' HG3' ' CE1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -72.9 75.85 1.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.085 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.422 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 7.4 mmm180 -96.49 -176.01 3.5 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.41 1.068 . . . . 0.0 110.346 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -64.77 -73.73 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.599 1.187 . . . . 0.0 109.352 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.02 -17.91 4.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.659 ' CD2' ' O ' ' A' ' 77' ' ' ASN . 0.1 OUTLIER -74.01 -35.2 64.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 110.972 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.647 ' O ' HD13 ' A' ' 86' ' ' LEU . 3.7 t -76.47 -57.68 3.72 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 5.3 pt-20 -65.54 -10.22 33.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.556 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -82.76 -64.37 1.68 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.105 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.825 ' C ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.7 -22.99 58.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.677 ' N ' HD13 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -87.53 -28.15 22.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 107.988 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 0.5 OUTLIER -67.11 -23.43 65.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.367 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.796 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -99.26 -43.99 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.658 ' N ' HD13 ' A' ' 89' ' ' ILE . 18.6 mt-10 -70.67 -32.77 70.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -133.3 67.59 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.238 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.594 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.441 0.162 . . . . 0.0 111.004 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -150.09 179.01 8.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.427 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 1.7 t -41.63 130.09 3.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 108.274 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.95 -14.37 34.22 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.417 1.073 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.8 144.87 25.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.74 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.895 HD22 ' N ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -118.15 140.32 49.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.895 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -155.24 178.76 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.632 ' N ' HG13 ' A' ' 16' ' ' VAL . 47.3 m-85 -91.69 115.28 27.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.772 ' HB2' ' CD2' ' A' ' 63' ' ' LEU . . . -107.09 128.47 54.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.555 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -117.94 143.5 46.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -128.48 160.2 33.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -56.87 119.41 6.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.31 -20.0 43.43 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.407 1.067 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.406 ' O ' ' O ' ' A' ' 20' ' ' MET . 6.1 t80 -112.82 132.14 22.43 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.564 0.803 . . . . 0.0 111.083 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.591 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.1 Cg_endo -75.0 156.96 43.01 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.37 1.721 . . . . 0.0 111.001 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.555 ' CD2' ' HB3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -42.91 111.54 0.27 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.595 1.185 . . . . 0.0 109.582 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.624 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -115.45 158.01 42.63 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.49 1.119 . . . . 0.0 107.99 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.452 ' HB2' HG21 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -74.97 103.13 1.68 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.483 1.781 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.646 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -122.86 147.46 46.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.432 1.082 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.563 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 2.7 ttt180 -94.25 160.25 14.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.361 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.763 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -89.86 144.09 9.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.617 ' H ' HD13 ' A' ' 30' ' ' ILE . 3.1 m-20 -155.85 149.51 25.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -105.96 153.69 21.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.209 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.92 116.67 54.44 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.147 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 158.67 41.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -134.35 42.34 2.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.45 -70.59 0.73 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.51 1.131 . . . . 0.0 109.228 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.37 -40.0 70.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.372 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.3 m -143.21 176.45 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.42 1.075 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.05 133.85 51.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.38 170.98 14.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 p -111.27 171.25 7.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.447 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . -104.01 121.89 44.11 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.564 1.165 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 5.9 m120 -163.49 -43.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.46 178.02 5.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.763 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -119.66 152.43 37.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.604 1.19 . . . . 0.0 111.046 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.413 ' O ' ' O ' ' A' ' 31' ' ' ASP . 17.1 tt0 -89.73 139.53 30.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.414 ' CG2' HD11 ' A' ' 63' ' ' LEU . 1.4 t -131.7 137.57 54.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.605 1.191 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.577 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -113.7 109.57 18.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.638 1.211 . . . . 0.0 110.953 -179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 53' ' ' HIS . 12.7 m-85 -78.93 117.47 20.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 29' ' ' ARG . 44.8 m-85 -71.54 -58.62 3.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.6 -56.44 2.48 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.403 ' CG2' ' OH ' ' A' ' 23' ' ' TYR . 59.7 p -81.72 -31.19 32.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.388 0.699 . . . . 0.0 110.409 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.2 OUTLIER 74.82 38.0 0.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.64 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -130.7 147.7 52.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 110.367 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.577 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 1.1 m -96.04 115.87 28.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.162 . . . . 0.0 110.4 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -121.17 156.28 32.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.353 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.492 ' O ' ' CG ' ' A' ' 57' ' ' PHE . 9.1 p90 -83.59 126.82 33.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.613 1.196 . . . . 0.0 111.039 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.948 HD22 ' CG ' ' A' ' 62' ' ' ASP . 47.1 mt -150.27 177.53 9.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.075 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.86 -159.67 9.48 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.158 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.4 Cg_endo -74.94 -28.82 8.95 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.557 1.82 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 62' ' ' ASP . 47.6 pttt -69.1 -46.07 68.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.148 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.948 ' CG ' HD22 ' A' ' 58' ' ' LEU . 1.4 m-20 -71.35 -6.95 43.87 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.772 ' CD2' ' HB2' ' A' ' 18' ' ' ALA . 13.8 mt -112.52 141.23 46.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.238 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.72 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -140.27 140.33 23.07 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.388 1.055 . . . . 0.0 110.96 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.488 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 18.4 Cg_endo -75.04 170.55 20.16 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.79 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -79.04 -37.78 38.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -53.15 -50.63 64.17 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -48.1 65.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -56.55 -52.63 64.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.971 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -16.1 63.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.611 1.195 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -56.63 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.607 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -98.36 -66.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.347 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.607 ' CZ ' ' HG2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -132.25 -81.89 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.924 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.417 ' HA3' ' CB ' ' A' ' 69' ' ' SER . . . 70.78 8.59 64.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.414 1.071 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.5 94.17 30.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.464 0.743 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.4 ' HG3' ' O ' ' A' ' 25' ' ' HIS . 18.2 Cg_endo -75.03 174.81 12.15 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.401 1.737 . . . . 0.0 110.956 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.583 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 3.2 m120 -50.05 139.67 13.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.589 ' CD ' ' CE1' ' A' ' 82' ' ' PHE . 1.6 tppt? -92.35 87.9 6.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.462 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 21.3 mmt180 -99.83 -176.21 3.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.413 1.071 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -43.17 78.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.359 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -75.21 -10.3 84.27 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.59 1.181 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.624 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 3.3 t80 -80.91 -42.68 21.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 111.062 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.1 p -75.2 -55.98 5.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.351 1.032 . . . . 0.0 109.974 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -61.22 -31.04 70.82 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.522 1.139 . . . . 0.0 110.219 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.661 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -72.11 -63.49 2.96 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.407 1.067 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.795 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -44.81 -26.21 0.38 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 0.748 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.838 ' CD1' ' ND2' ' A' ' 91' ' ' ASN . 12.1 t-105 -88.62 -43.03 11.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 108.025 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' GLY . 1.6 tm-20 -51.19 -20.85 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.829 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -100.64 -36.88 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.62 ' N ' HD13 ' A' ' 89' ' ' ILE . 1.5 mt-10 -70.13 -9.78 56.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.838 ' ND2' ' CD1' ' A' ' 87' ' ' TRP . 0.1 OUTLIER -125.75 47.76 2.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.433 ' C ' ' OD1' ' A' ' 92' ' ' ASN . 9.8 p30 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.485 0.183 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.66 159.93 43.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.5 t -45.22 128.49 7.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 108.233 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.44 -20.33 40.07 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.406 1.066 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 15' ' ' LEU . 16.1 t0 -55.86 168.93 0.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.736 HD13 ' O ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -136.1 129.95 32.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.325 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.931 HG22 ' O ' ' A' ' 64' ' ' PHE . 0.3 OUTLIER -151.41 177.53 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.58 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -92.48 114.36 26.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.981 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.658 ' HB2' HD21 ' A' ' 63' ' ' LEU . . . -98.21 144.88 27.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HD3' ' CG ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -123.57 138.23 54.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.367 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.441 ' O ' ' O ' ' A' ' 23' ' ' TYR . 1.4 ttt -131.44 151.69 51.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.586 1.179 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.62 123.6 14.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.579 1.175 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.49 -20.36 27.45 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.496 1.122 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.635 ' CE2' ' CD2' ' A' ' 26' ' ' TRP . 2.0 t80 -112.02 133.15 21.72 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.754 . . . . 0.0 111.042 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.2 Cg_endo -75.04 175.94 10.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.543 1.812 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -51.11 111.18 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.649 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.663 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -118.77 142.46 31.79 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.516 1.135 . . . . 0.0 108.065 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.663 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.1 Cg_endo -75.06 112.02 3.46 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.736 ' O ' HD13 ' A' ' 15' ' ' LEU . . . -125.62 158.03 35.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -98.96 139.98 33.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.342 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.748 HD13 ' H ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -74.98 148.95 7.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 124.634 1.209 . . . . 0.0 109.255 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.748 ' H ' HD13 ' A' ' 30' ' ' ILE . 2.6 m-20 -160.07 153.13 21.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 109.344 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.69 159.53 14.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.23 113.52 22.82 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 110.977 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 172.45 16.34 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.429 1.752 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -144.08 36.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 110.195 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.07 -66.36 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.02 -44.9 87.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.408 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.2 m -143.02 177.07 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.36 129.58 54.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.61 171.82 13.93 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.519 1.137 . . . . 0.0 110.071 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.3 p -115.3 177.3 4.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.46 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.51 130.91 49.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 p30 170.35 -33.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.1 170.91 9.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.47 142.1 47.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.485 ' HG3' ' CG2' ' A' ' 55' ' ' THR . 30.4 tt0 -90.73 114.49 26.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.253 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.7 t -107.26 149.19 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.375 1.047 . . . . 0.0 109.358 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.77 101.8 7.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.441 ' HE1' HD12 ' A' ' 58' ' ' LEU . 3.5 m-30 -70.9 125.14 26.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 111.068 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CE2' ' HB ' ' A' ' 89' ' ' ILE . 15.5 m-85 -74.97 -44.59 47.48 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.454 1.096 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.453 ' HA3' ' NE1' ' A' ' 26' ' ' TRP . . . -47.36 -56.86 7.72 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.44 1.088 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.0 p -85.91 -28.03 24.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 0.799 . . . . 0.0 110.39 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 74.44 38.95 0.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 109.58 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -131.3 155.15 47.68 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.588 1.18 . . . . 0.0 110.346 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.485 ' CG2' ' HG3' ' A' ' 46' ' ' GLN . 1.3 m -94.71 112.75 24.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.37 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.5 137.38 51.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.399 1.062 . . . . 0.0 109.234 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.628 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 44.1 p90 -69.56 108.82 3.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 111.04 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.441 HD12 ' HE1' ' A' ' 49' ' ' PHE . 60.1 mt -132.19 177.54 7.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.82 -160.27 9.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' A' ' 63' ' ' LEU . 17.9 Cg_endo -75.09 -44.63 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.534 1.807 . . . . 0.0 110.976 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -47.1 81.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.64 -19.97 65.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.179 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.823 HD22 ' CG1' ' A' ' 16' ' ' VAL . 15.7 mt -99.34 144.7 28.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.931 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -138.02 143.33 39.18 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 111.048 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 64' ' ' PHE . 18.5 Cg_endo -74.95 167.1 27.82 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.553 ' CE1' ' HG2' ' A' ' 70' ' ' LYS . 1.9 t80 -83.03 -36.33 25.06 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.569 1.168 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -50.63 63.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -63.79 -47.83 79.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.347 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.474 ' CB ' ' HA3' ' A' ' 74' ' ' GLY . 0.9 OUTLIER -60.31 -49.26 78.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.405 1.066 . . . . 0.0 109.978 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.553 ' HG2' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -70.42 -8.81 53.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.45 -46.62 26.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.232 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt -106.03 -68.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 69' ' ' SER . 9.1 m-85 -132.81 -81.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 111.05 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.474 ' HA3' ' CB ' ' A' ' 69' ' ' SER . . . 67.41 26.95 73.49 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.83 90.82 41.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 0.759 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.405 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.3 Cg_endo -74.86 175.24 11.46 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.576 1.829 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.623 ' O ' ' CE2' ' A' ' 82' ' ' PHE . 29.4 m-80 -49.8 172.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -129.57 90.39 2.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -102.01 -176.12 3.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -69.64 -55.34 10.31 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.2 -7.16 43.32 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.51 1.132 . . . . 0.0 111.048 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.623 ' CE2' ' O ' ' A' ' 77' ' ' ASN . 7.0 t80 -83.65 -47.94 10.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 0.737 . . . . 0.0 111.063 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.19 -53.83 43.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.024 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 88' ' ' GLU . 4.8 pt-20 -63.02 -30.76 71.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 110.247 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.446 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -65.56 -60.84 6.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.78 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -55.84 -28.12 54.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.763 . . . . 0.0 109.28 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.564 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -84.36 -23.95 29.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 108.006 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 84' ' ' GLU . 3.9 mm-40 -70.7 -23.05 62.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.247 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.572 ' HB ' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -100.0 -45.23 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.435 ' N ' HD13 ' A' ' 89' ' ' ILE . 12.6 mt-10 -74.61 -27.48 60.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.402 1.064 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.564 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.2 m120 -134.01 58.98 1.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.404 1.065 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 92' ' ' ASN . 7.9 p30 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.228 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.575 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 6.1 p90 . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.507 0.194 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -136.68 -179.43 5.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.181 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.432 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -41.07 142.82 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 108.275 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.52 2.45 76.27 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.568 1.168 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -102.44 127.98 49.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 0.776 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.017 HD22 ' N ' ' A' ' 16' ' ' VAL . 0.2 OUTLIER -108.72 132.06 54.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.017 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -150.27 179.89 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.228 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.466 ' O ' HD13 ' A' ' 63' ' ' LEU . 1.5 m-85 -91.31 121.2 32.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.421 1.075 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.559 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . . . -127.14 141.49 51.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.217 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.56 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -113.17 158.31 20.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.369 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.418 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -130.29 159.1 37.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.32 118.65 5.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.96 -17.92 43.2 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.562 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 2.7 t80 -110.73 137.25 20.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.574 0.808 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.588 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.1 Cg_endo -75.07 156.86 42.72 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.402 1.738 . . . . 0.0 110.973 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.56 ' CD2' ' HB3' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -42.4 111.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.574 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.595 ' CZ2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -116.7 157.1 46.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 107.989 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.599 ' HB2' HG21 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.95 103.82 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.429 1.752 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.559 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -121.86 142.81 49.87 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.458 1.099 . . . . 0.0 109.239 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.3 ttp85 -98.85 140.51 32.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.339 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.432 ' CG2' ' HA ' ' A' ' 12' ' ' CYS . 0.2 OUTLIER -63.26 145.82 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -158.64 145.79 17.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -95.49 158.72 15.33 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.97 113.48 23.62 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 133.22 16.41 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.56 1.821 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -100.8 38.23 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.32 -56.55 2.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.11 -42.34 80.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 m -143.24 171.97 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.29 64.51 0.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.347 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.17 177.8 0.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.574 1.171 . . . . 0.0 109.966 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 42' ' ' ALA . 28.5 m -113.63 171.37 7.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.43 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.427 ' H ' HG22 ' A' ' 41' ' ' THR . . . -103.65 127.75 51.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.6 p30 167.25 -32.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.96 173.02 7.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.902 ' OH ' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -118.8 134.97 54.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.504 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 33.7 tt0 -75.05 115.37 14.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.902 HG23 ' OH ' ' A' ' 45' ' ' TYR . 14.6 p -94.78 136.95 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.448 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -113.94 97.73 6.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.041 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -78.92 122.01 25.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 6.8 m-85 -79.69 -56.53 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -40.13 -55.79 2.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.5 p -78.75 -28.96 44.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 0.804 . . . . 0.0 110.373 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 74.31 37.48 0.58 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.54 1.15 . . . . 0.0 109.582 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -137.49 163.86 30.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.559 1.162 . . . . 0.0 110.247 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.448 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -105.24 159.44 15.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.471 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.563 ' C ' HG12 ' A' ' 47' ' ' VAL . . . -155.61 -179.12 7.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -119.83 101.3 7.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.46 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 50.3 mt -129.02 179.64 5.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.2 -167.78 12.78 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -18.62 18.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 0.0 110.997 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -72.66 -25.46 61.28 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -97.28 2.15 50.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.649 HD23 ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -111.24 137.82 48.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.508 ' CZ ' ' HG2' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -140.14 131.67 14.38 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.489 1.118 . . . . 0.0 110.922 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 169.8 21.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.547 1.814 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -63.66 -36.2 83.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -62.27 -50.65 70.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.261 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.508 ' HG2' ' CZ ' ' A' ' 64' ' ' PHE . 0.6 OUTLIER -68.26 -49.14 62.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.528 ' O ' ' N ' ' A' ' 74' ' ' GLY . 1.4 p -55.76 -53.39 57.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.944 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -18.83 64.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 9.5 tt0 -62.88 -49.97 72.75 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 110.257 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.59 -68.6 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.535 ' CG ' ' N ' ' A' ' 74' ' ' GLY . 4.6 p90 -133.89 -52.92 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.535 ' N ' ' CG ' ' A' ' 73' ' ' PHE . . . 60.5 9.55 13.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.438 1.086 . . . . 0.0 111.039 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -133.83 94.27 19.13 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.54 0.788 . . . . 0.0 109.3 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.402 ' HG3' ' O ' ' A' ' 25' ' ' HIS . 18.1 Cg_endo -75.08 174.88 12.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.463 1.77 . . . . 0.0 110.945 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.497 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 4.8 m120 -49.06 129.65 17.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.437 ' HG2' ' CE1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -83.1 89.04 6.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.511 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 20.9 mmt85 -100.89 -175.25 2.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.38 -48.27 65.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.33 -7.19 67.32 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.578 1.174 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.595 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 2.2 t80 -82.34 -47.71 12.02 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.554 0.797 . . . . 0.0 111.064 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.4 OUTLIER -66.29 -53.66 34.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.921 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -70.4 -26.65 63.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.568 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -70.47 -55.14 9.04 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.805 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -60.01 -27.62 67.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.572 0.807 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.57 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -86.28 -21.72 27.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 108.006 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.59 -24.57 61.11 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.426 1.079 . . . . 0.0 110.277 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.799 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -98.67 -42.54 11.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.429 1.081 . . . . 0.0 109.244 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.601 ' N ' HD13 ' A' ' 89' ' ' ILE . 3.3 mt-10 -76.99 -29.5 55.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.272 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.527 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.7 m120 -133.26 71.59 1.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.4 p30 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.401 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 7.0 p90 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.493 0.187 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.88 176.4 8.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.7 t -43.48 134.15 4.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 108.257 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.54 -3.03 78.39 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.587 1.179 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -81.97 140.6 33.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.786 HD22 ' H ' ' A' ' 16' ' ' VAL . 1.5 tm? -109.63 142.16 41.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.823 HG23 HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -162.27 177.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.579 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 23.7 m-85 -93.06 112.04 23.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.617 ' HB2' HD21 ' A' ' 63' ' ' LEU . . . -98.94 132.06 44.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 8.2 tttt -108.68 145.04 35.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.447 ' O ' ' O ' ' A' ' 23' ' ' TYR . 2.4 ttt -129.36 153.74 47.58 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.619 1.199 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -56.22 121.92 10.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.46 -19.97 29.39 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.562 ' CE2' ' CD2' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -111.28 134.59 21.08 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.593 0.819 . . . . 0.0 111.024 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.407 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 18.0 Cg_endo -74.96 169.65 22.16 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 110.973 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.579 ' CD2' ' HB3' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -44.64 116.17 1.01 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.623 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.72 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.6 OUTLIER -120.43 145.22 40.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.72 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -74.99 108.84 2.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.452 1.764 . . . . 0.0 110.977 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.595 ' O ' HD22 ' A' ' 15' ' ' LEU . . . -129.88 162.44 28.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.499 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 12.1 ptm180 -103.91 156.46 17.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.66 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -82.54 149.69 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.45 ' H ' HD13 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -156.67 150.67 24.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -99.15 152.69 19.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.71 114.08 30.78 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 175.11 11.66 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.513 1.796 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -144.57 31.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.36 -71.43 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.365 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.46 -50.45 67.69 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.564 HG22 ' N ' ' A' ' 39' ' ' LYS . 9.0 p -143.02 170.57 10.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.564 ' N ' HG22 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -109.03 96.59 6.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.89 -176.06 1.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.063 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.9 p -120.03 124.16 45.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.388 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 43' ' ' ASN . . . -49.32 175.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 42' ' ' ALA . 4.5 m120 80.48 38.15 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.76 160.32 4.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.66 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -125.88 151.97 46.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 111.017 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.482 ' HG3' HG23 ' A' ' 55' ' ' THR . 36.5 tt0 -92.1 129.13 38.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 110.249 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.53 HG22 HD11 ' A' ' 63' ' ' LEU . 1.3 t -126.22 135.14 64.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.379 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.599 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.0 OUTLIER -112.33 105.53 13.84 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.606 1.191 . . . . 0.0 110.957 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.51 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 3.8 m-85 -76.0 118.94 19.29 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.499 ' CE2' ' HB3' ' A' ' 29' ' ' ARG . 51.8 m-85 -71.29 -34.28 70.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.599 1.187 . . . . 0.0 111.073 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.436 ' HA3' ' NE1' ' A' ' 26' ' ' TRP . . . -57.31 -56.94 22.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 42.7 p -87.23 -20.18 27.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 49' ' ' PHE . 27.6 t-80 67.98 40.35 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.621 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.18 158.53 43.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.577 1.173 . . . . 0.0 110.338 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.599 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 1.8 m -99.08 115.81 29.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.464 1.102 . . . . 0.0 110.483 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.94 141.72 47.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -75.42 107.64 7.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.855 HD22 ' CG ' ' A' ' 62' ' ' ASP . 23.3 mt -137.96 172.22 13.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.4 1.062 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.04 -157.7 9.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.445 1.09 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -28.2 9.25 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.554 1.818 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -72.21 -18.07 61.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.855 ' CG ' HD22 ' A' ' 58' ' ' LEU . 1.5 m-20 -105.2 10.79 33.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.226 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.823 HD22 HG23 ' A' ' 16' ' ' VAL . 6.8 mt -135.85 118.58 16.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 0.1 OUTLIER -114.84 146.84 36.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 111.05 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.52 ' HA ' HG12 ' A' ' 16' ' ' VAL . 18.4 Cg_endo -74.97 171.05 19.07 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.388 1.73 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -82.12 -42.1 19.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.18 -51.07 57.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -44.6 80.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.262 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -56.68 -51.55 68.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 110.042 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.463 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -70.54 -12.05 61.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -68.95 -49.69 55.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.14 -67.51 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' SER . 1.3 m-85 -132.37 -82.77 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.03 8.84 79.31 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.573 1.17 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -115.7 96.33 46.13 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.426 0.721 . . . . 0.0 109.265 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 174.71 12.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 110.998 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.634 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 5.0 m120 -49.44 147.44 3.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.43 85.3 6.13 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.399 1.062 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.9 mmt-85 -99.53 -176.56 3.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.163 . . . . 0.0 110.339 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -69.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -53.86 -17.4 7.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.13 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.634 ' CD2' ' O ' ' A' ' 77' ' ' ASN . 0.6 OUTLIER -75.54 -38.6 59.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 110.993 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.7 -58.29 3.8 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.451 1.094 . . . . 0.0 109.918 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -65.73 -30.31 70.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.428 1.08 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.504 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -67.73 -56.53 10.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.558 1.161 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.802 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.38 -28.79 65.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 0.75 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.598 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -85.39 -21.98 28.59 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -72.04 -24.52 61.55 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.53 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -97.69 -43.58 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 109.36 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.414 ' N ' HD13 ' A' ' 89' ' ' ILE . 3.0 mm-40 -75.09 -27.41 59.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.264 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.54 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.1 m120 -134.63 69.81 1.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.612 1.195 . . . . 0.0 109.39 179.91 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.482 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 7.7 p90 . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.515 0.198 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.6 178.82 6.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.4 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 15.3 t -45.67 142.76 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 108.337 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.61 2.24 76.34 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.454 1.096 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -96.24 146.89 24.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 0.746 . . . . 0.0 109.257 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.945 HD12 ' N ' ' A' ' 16' ' ' VAL . 3.7 tp -122.6 140.81 52.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.945 ' N ' HD12 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -161.46 -179.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.68 ' N ' HG13 ' A' ' 16' ' ' VAL . 85.3 m-85 -89.53 119.56 30.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.497 1.123 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.509 ' HA ' HD12 ' A' ' 63' ' ' LEU . . . -97.61 155.47 16.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -144.74 124.89 13.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 109.223 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.842 ' SD ' HD21 ' A' ' 58' ' ' LEU . 16.3 ttp -135.51 166.57 22.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.049 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -55.38 135.06 50.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.82 10.58 19.71 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 111.055 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CE1' ' HB2' ' A' ' 26' ' ' TRP . 14.6 t80 -128.51 115.82 19.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.512 0.772 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.579 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.6 Cg_endo -74.96 157.12 43.13 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.471 ' O ' ' CG ' ' A' ' 76' ' ' PRO . 0.0 OUTLIER -47.41 117.48 1.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.543 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.593 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -134.66 159.32 72.65 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.591 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -74.94 101.51 1.47 Allowed 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.52 1.8 . . . . 0.0 111.011 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.76 139.63 51.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -95.77 139.21 32.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.604 HD11 ' CG ' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -65.74 147.65 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.78 146.04 25.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -89.92 152.72 21.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.83 119.16 74.73 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 171.04 19.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.431 1.753 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -145.32 30.1 1.14 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.51 -60.44 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.47 -59.41 5.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.358 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.7 m -131.84 177.15 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.05 125.31 50.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.16 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.87 171.4 8.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 110.018 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.9 p -97.39 128.06 43.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.421 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.406 ' O ' ' CB ' ' A' ' 43' ' ' ASN . . . -78.29 124.96 28.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.117 . . . . 0.0 109.266 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 42' ' ' ALA . 5.5 p30 163.34 -29.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.58 177.53 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.604 ' CG ' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -122.6 147.35 46.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.357 1.035 . . . . 0.0 110.957 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -94.66 128.98 41.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.345 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.671 HG11 HD12 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -102.45 145.11 12.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.478 ' CZ ' ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -132.67 101.44 5.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 111.154 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.482 ' CZ ' ' CG1' ' A' ' 47' ' ' VAL . 3.7 m-85 -75.21 124.9 27.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.973 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.435 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 2.9 m-85 -78.42 -59.91 2.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.08 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -38.91 -56.3 2.16 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.084 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.8 p -80.85 -30.1 35.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.425 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 74.27 38.69 0.52 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 109.538 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -118.77 169.91 9.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.478 ' OG1' ' CZ ' ' A' ' 48' ' ' PHE . 24.9 m -134.81 146.83 49.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.442 1.088 . . . . 0.0 110.446 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -157.96 -179.8 8.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.716 ' O ' HD23 ' A' ' 58' ' ' LEU . 46.7 p90 -106.31 124.57 49.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 110.966 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.842 HD21 ' SD ' ' A' ' 20' ' ' MET . 43.7 mt -146.4 178.91 7.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -120.77 -156.73 9.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.492 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.3 Cg_endo -75.1 -33.99 4.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.555 1.819 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -57.42 13.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.01 -30.19 14.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.599 ' HG ' HG12 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -91.34 141.67 28.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.401 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 2.5 m-85 -144.2 138.84 15.22 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 111.095 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.534 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 18.1 Cg_endo -75.03 173.98 13.57 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.465 1.771 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -70.65 -39.57 73.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -55.3 -51.74 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.235 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 71' ' ' GLU . 19.7 mt-10 -68.73 -47.65 65.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 74' ' ' GLY . 3.4 m -54.8 -51.88 64.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.081 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -18.56 65.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 0.3 OUTLIER -62.61 -57.33 11.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.192 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.502 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -77.06 -70.09 0.49 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.502 ' CD1' ' HB3' ' A' ' 72' ' ' LYS . 9.6 p90 -131.48 -54.3 1.02 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 68.42 1.35 21.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.89 94.3 28.8 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.529 0.782 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.471 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.6 Cg_endo -74.93 174.42 12.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.771 . . . . 0.0 111.048 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -48.94 111.3 0.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.583 1.177 . . . . 0.0 109.203 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -69.06 87.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.491 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 25.5 mmt180 -101.14 -175.93 3.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.374 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -67.19 -46.79 72.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.63 -8.97 49.74 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.491 ' HB3' ' O ' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -81.32 -53.43 6.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.992 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.431 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 5.4 t -63.4 -54.08 42.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.937 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 4.3 pt-20 -71.16 -15.12 62.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.562 1.164 . . . . 0.0 110.254 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.475 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -77.73 -61.02 2.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.792 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -57.83 -30.6 65.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.765 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.625 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -82.97 -20.92 34.27 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 2.0 mm-40 -72.56 -24.5 61.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.378 1.049 . . . . 0.0 110.33 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -99.52 -46.85 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.449 ' N ' HD13 ' A' ' 89' ' ' ILE . 42.1 mm-40 -71.15 -29.32 65.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.589 1.18 . . . . 0.0 110.362 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.53 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.3 m120 -133.94 66.86 1.53 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 92' ' ' ASN . 10.5 p-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.545 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 3.6 p90 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.542 0.211 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.19 175.21 10.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.442 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 2.0 t -45.05 123.02 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 108.301 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.28 8.5 46.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -101.23 134.7 43.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.659 HD21 ' HE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -97.36 137.12 36.82 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.451 1.094 . . . . 0.0 109.258 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -158.19 178.13 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.565 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -91.89 132.49 36.44 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.006 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -129.98 130.66 45.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.577 ' HB3' ' CG ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -117.64 152.12 35.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.417 ' O ' ' O ' ' A' ' 23' ' ' TYR . 8.4 ttt -132.2 156.22 46.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.79 119.48 6.26 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.31 -20.49 45.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.417 ' O ' ' O ' ' A' ' 20' ' ' MET . 4.3 t80 -114.05 135.92 22.14 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.441 0.73 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.458 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -75.0 155.17 42.88 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.524 1.802 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.577 ' CG ' ' HB3' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -41.13 116.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.598 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.603 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -120.03 158.29 50.68 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.481 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -75.03 107.32 2.46 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.545 1.813 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.713 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -124.14 156.28 36.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.386 1.054 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.439 ' CG ' ' HB3' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -107.84 148.06 30.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 110.32 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.755 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -71.24 144.51 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.206 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.584 ' H ' HD13 ' A' ' 30' ' ' ILE . 4.5 m-20 -151.47 145.53 25.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -89.91 160.81 16.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.234 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -82.9 121.1 77.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 156.07 43.17 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.549 1.815 . . . . 0.0 111.017 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -121.3 25.68 9.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.12 -77.97 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.83 -31.17 37.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -143.47 177.11 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.443 1.089 . . . . 0.0 109.208 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.481 ' CG ' ' N ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -74.67 -148.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.481 ' N ' ' CG ' ' A' ' 39' ' ' LYS . 34.9 p -145.13 130.72 18.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.044 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.4 m -117.06 167.22 11.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 110.352 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.459 ' O ' ' ND2' ' A' ' 43' ' ' ASN . . . -104.57 178.12 4.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER 38.97 56.73 1.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 1.073 . . . . 0.0 109.377 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.53 137.94 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.755 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -129.01 149.25 50.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.966 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.501 ' OE1' ' CG2' ' A' ' 55' ' ' THR . 0.0 OUTLIER -82.77 135.14 35.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.581 1.175 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.504 HG11 HD12 ' A' ' 58' ' ' LEU . 6.0 t -136.6 125.72 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.409 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.501 ' O ' ' HB1' ' A' ' 28' ' ' ALA . 6.4 t80 -105.79 133.94 49.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 110.963 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -97.88 126.94 43.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.659 ' HE2' HD21 ' A' ' 15' ' ' LEU . 9.5 m-85 -78.46 -60.17 2.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.624 1.203 . . . . 0.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -40.05 -55.23 2.94 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.0 p -80.23 -31.52 38.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.398 0.705 . . . . 0.0 110.47 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 73.29 39.71 0.58 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.574 1.171 . . . . 0.0 109.61 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -133.25 145.21 50.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.227 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.501 ' CG2' ' OE1' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -93.87 121.54 35.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.383 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.33 153.2 47.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.576 ' CG ' ' O ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -87.0 122.86 31.43 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.504 HD12 HG11 ' A' ' 47' ' ' VAL . 82.0 mt -140.87 177.71 7.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.189 . . . . 0.0 109.305 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -120.26 -160.83 11.31 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.3 Cg_endo -75.09 -34.75 3.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.443 1.76 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.84 -42.61 97.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.085 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.449 ' CG ' HD22 ' A' ' 58' ' ' LEU . 2.5 m-20 -64.46 -22.43 66.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.176 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.006 ' CD1' ' HB2' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -100.66 145.53 28.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.453 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -140.67 146.28 43.87 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.952 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.408 ' O ' ' HB3' ' A' ' 69' ' ' SER . 18.3 Cg_endo -75.03 158.38 42.11 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.454 1.765 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.573 ' CE2' ' HD2' ' A' ' 70' ' ' LYS . 8.0 t80 -79.53 -37.97 35.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -54.25 -51.28 65.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -68.85 -39.18 80.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.451 ' HB2' ' CA ' ' A' ' 74' ' ' GLY . 7.0 p -59.44 -51.04 71.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.573 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 1.8 pttm -71.05 -13.99 62.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -69.67 -44.25 70.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.359 1.037 . . . . 0.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -106.43 -68.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.388 1.055 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' SER . 0.6 OUTLIER -132.93 -77.33 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.404 1.065 . . . . 0.0 111.003 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.451 ' CA ' ' HB2' ' A' ' 69' ' ' SER . . . 61.84 26.36 66.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.23 94.17 24.21 Favored Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 124.457 0.739 . . . . 0.0 109.258 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 175.28 11.41 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.474 1.776 . . . . 0.0 110.99 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.587 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 4.3 m120 -49.09 141.3 8.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -92.94 90.27 6.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 19.9 mmt180 -100.95 -175.99 3.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -68.43 -44.87 74.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.249 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.48 -9.9 78.53 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.458 1.099 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.603 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 3.2 t80 -81.65 -44.02 17.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 0.801 . . . . 0.0 110.95 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.6 t -68.67 -56.22 8.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 109.951 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 4.6 pt-20 -69.42 -21.43 63.75 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.571 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -75.29 -58.2 4.02 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.831 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -57.4 -27.21 62.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.506 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -86.87 -23.38 25.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 108.019 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 1.1 mm-40 -70.36 -22.53 62.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.571 HG22 ' O ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -100.48 -44.4 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.381 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.49 ' N ' HD13 ' A' ' 89' ' ' ILE . 4.9 mm-40 -72.45 -30.44 64.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.243 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.506 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.4 m120 -133.88 69.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.5 p30 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.223 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.532 0.206 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.53 159.81 44.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.3 p -43.71 130.28 5.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 108.313 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.24 7.26 60.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.43 1.081 . . . . 0.0 111.004 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -86.56 150.05 24.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.565 0.803 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.718 HD21 ' HE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -119.24 140.76 49.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.652 HG13 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -162.76 176.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.406 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -92.74 112.41 24.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.765 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -104.84 132.93 50.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 24' ' ' PRO . 12.8 tttt -114.17 141.49 47.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -127.51 156.62 41.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.61 120.26 7.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.86 -17.3 32.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.126 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.687 ' OH ' HG23 ' A' ' 52' ' ' THR . 4.1 t80 -106.94 129.05 24.94 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.523 0.778 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.451 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 18.4 Cg_endo -75.09 157.79 42.22 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.453 1.764 . . . . 0.0 111.053 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.47 ' O ' ' CG ' ' A' ' 76' ' ' PRO . 0.0 OUTLIER -39.42 118.4 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.665 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.624 ' CZ2' ' HB2' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -129.19 155.12 80.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 107.956 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.59 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -74.88 104.12 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.436 1.756 . . . . 0.0 111.071 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.669 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -119.73 149.55 41.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.439 ' HG2' ' N ' ' A' ' 30' ' ' ILE . 15.2 ttm180 -97.51 160.9 14.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.144 . . . . 0.0 110.36 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.471 HG12 ' CE1' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -81.12 142.45 13.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.551 ' OD2' ' CD2' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -152.1 149.29 28.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -104.11 147.89 26.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.217 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -73.59 131.23 82.59 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 111.077 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 170.77 19.69 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 111.078 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -124.29 28.96 6.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.25 -60.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.87 -44.9 94.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.5 m -136.73 177.07 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.54 117.28 34.35 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.607 1.192 . . . . 0.0 109.364 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.1 t -41.22 140.48 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.039 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.1 p -119.91 -171.52 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.349 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.411 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . -89.89 148.65 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.458 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 1.6 p-10 42.12 82.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.223 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.89 117.72 2.98 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.407 1.067 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 1.016 ' OH ' HG23 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -122.0 127.54 50.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 111.052 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.626 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 2.3 tt0 -80.17 133.34 36.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 1.016 HG23 ' OH ' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -122.31 136.44 59.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.551 ' CD2' ' OD2' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -110.64 99.23 8.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -73.78 124.85 26.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.105 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.718 ' HE2' HD21 ' A' ' 15' ' ' LEU . 18.6 m-85 -80.17 -54.0 6.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 111.022 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.51 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . -39.01 -56.15 2.23 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.491 1.119 . . . . 0.0 111.058 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.687 HG23 ' OH ' ' A' ' 23' ' ' TYR . 41.7 p -82.41 -26.99 32.28 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.459 0.741 . . . . 0.0 110.381 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.4 t60 73.57 38.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 109.674 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -138.66 161.41 37.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -94.37 164.55 12.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.418 1.073 . . . . 0.0 110.456 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.442 ' N ' ' CG2' ' A' ' 55' ' ' THR . . . -159.89 -179.86 8.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.559 ' O ' HD23 ' A' ' 58' ' ' LEU . 28.4 p90 -118.07 109.84 16.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 57' ' ' PHE . 83.8 mt -135.95 179.82 6.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.614 1.197 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.62 -157.17 9.84 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.515 1.134 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -41.52 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -58.72 -45.9 88.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.516 ' CG ' HD22 ' A' ' 58' ' ' LEU . 2.3 m-20 -59.32 -15.88 18.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.232 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.765 ' CD1' ' HB2' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -106.66 137.25 45.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.908 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.451 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -130.67 144.26 52.7 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.406 ' O ' ' HB3' ' A' ' 69' ' ' SER . 18.6 Cg_endo -75.0 155.65 42.92 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.526 1.803 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.612 ' CE2' ' CD ' ' A' ' 70' ' ' LYS . 7.2 t80 -77.84 -37.39 48.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -54.99 -50.62 68.55 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.491 1.119 . . . . 0.0 110.259 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -45.94 72.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 110.209 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.472 ' HB2' ' CA ' ' A' ' 74' ' ' GLY . 1.2 p -58.23 -49.51 76.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.972 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.612 ' CD ' ' CE2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -67.16 -17.78 65.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.132 . . . . 0.0 109.236 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -69.66 -43.76 71.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -106.98 -69.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.363 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 69' ' ' SER . 6.7 m-85 -132.95 -86.05 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.472 ' CA ' ' HB2' ' A' ' 69' ' ' SER . . . 70.22 11.02 66.84 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.387 1.054 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -112.94 94.58 30.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.551 0.794 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.47 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.3 Cg_endo -74.84 175.2 11.49 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.421 1.748 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.467 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 4.2 m120 -49.29 133.87 19.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.56 ' HD3' ' CE1' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -87.59 90.91 8.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.46 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 10.1 mmt180 -101.36 -175.4 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.248 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.43 -44.06 75.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.62 -8.91 77.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.403 1.065 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.624 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 3.2 t80 -82.25 -47.76 12.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 22.9 t -66.98 -54.11 25.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.64 -30.28 68.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.226 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.546 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -66.66 -57.08 10.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.794 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.23 -27.39 63.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.584 0.814 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.591 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -86.46 -21.93 26.76 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.517 1.136 . . . . 0.0 108.031 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.69 -23.5 61.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 110.365 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.56 ' HB ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -99.63 -41.14 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.356 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.416 ' N ' HD13 ' A' ' 89' ' ' ILE . 2.6 mt-10 -77.65 -28.02 51.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.563 1.165 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.591 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.5 m120 -134.0 58.66 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.0 p30 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.239 -179.931 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.479 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 3.6 p90 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.6 0.238 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 12' ' ' CYS . 4.3 mtpp -134.43 -179.55 5.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 11' ' ' LYS . 34.7 t -41.43 144.32 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 108.36 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.23 -0.37 75.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.571 1.169 . . . . 0.0 111.003 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.401 ' OD2' ' HB2' ' A' ' 10' ' ' TYR . 10.6 t0 -93.8 139.52 30.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.395 0.703 . . . . 0.0 109.236 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.622 HD13 ' O ' ' A' ' 28' ' ' ALA . 0.3 OUTLIER -113.94 135.85 53.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.611 1.194 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -154.96 178.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.604 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -91.44 109.78 21.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.48 1.113 . . . . 0.0 111.057 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.698 ' HB2' HD21 ' A' ' 63' ' ' LEU . . . -94.42 137.39 33.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.653 1.221 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -123.75 140.52 52.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.136 . . . . 0.0 109.239 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.458 ' O ' ' O ' ' A' ' 23' ' ' TYR . 2.2 ttt -130.34 155.86 45.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -56.71 126.9 28.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.598 1.186 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.64 -16.06 32.91 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.529 ' CE2' ' CE3' ' A' ' 26' ' ' TRP . 2.7 t80 -115.78 130.23 24.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.446 0.733 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.29 29.49 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.604 ' CD2' ' HB3' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -40.48 130.87 2.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.696 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.715 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.4 OUTLIER -140.25 143.27 32.9 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.715 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.5 Cg_endo -75.02 109.65 2.97 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.411 1.743 . . . . 0.0 111.096 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.622 ' O ' HD13 ' A' ' 15' ' ' LEU . . . -130.02 156.53 44.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.595 1.184 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.478 ' HA ' HD13 ' A' ' 15' ' ' LEU . 1.5 ptt180 -97.06 158.31 15.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.632 HD13 ' H ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -92.01 144.05 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.632 ' H ' HD13 ' A' ' 30' ' ' ILE . 54.2 m-20 -155.78 149.54 25.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -97.49 152.44 18.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 110.358 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -74.18 113.49 24.06 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 167.81 26.22 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.382 1.727 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -125.98 31.49 5.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 37' ' ' ALA . . . -89.21 -98.09 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 36' ' ' ALA . . . -39.57 -47.45 1.92 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.594 1.184 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.1 m -131.4 177.04 7.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.17 144.91 34.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.3 t -86.46 147.36 26.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.022 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.6 p -115.66 137.65 51.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.44 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.41 173.41 8.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 m120 59.58 44.9 13.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 109.344 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.06 150.95 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.379 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.46 ' HD2' ' HH ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -129.79 132.25 46.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 31' ' ' ASP . 22.9 tt0 -78.87 139.24 38.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 55' ' ' THR . 3.3 t -131.43 132.49 62.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.584 ' CE1' ' HB ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -107.48 110.3 22.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.978 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.418 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 2.9 m-85 -78.9 124.51 28.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.601 1.188 . . . . 0.0 111.071 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.429 ' HE2' HD11 ' A' ' 15' ' ' LEU . 20.2 m-85 -82.95 -12.12 57.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 111.085 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.533 ' HA3' ' NE1' ' A' ' 26' ' ' TRP . . . -72.51 -57.74 5.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.1 p -90.96 -15.9 28.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 74.6 38.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.087 . . . . 0.0 109.604 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -139.53 156.17 47.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.584 ' HB ' ' CE1' ' A' ' 48' ' ' PHE . 4.9 t -102.94 141.89 34.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.47 1.106 . . . . 0.0 110.437 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.99 159.09 42.96 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.414 1.071 . . . . 0.0 109.366 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.515 ' CG ' ' O ' ' A' ' 57' ' ' PHE . 4.2 p90 -74.92 126.01 30.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.625 1.203 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.763 HD23 ' HB3' ' A' ' 62' ' ' ASP . 4.0 mp -152.25 177.58 10.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -132.76 -162.42 10.25 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.444 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.1 Cg_endo -75.05 -31.51 6.08 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.519 1.8 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -46.46 73.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.763 ' HB3' HD23 ' A' ' 58' ' ' LEU . 2.6 m-20 -66.76 -12.31 58.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.698 HD21 ' HB2' ' A' ' 18' ' ' ALA . 15.5 mt -108.77 116.49 32.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -108.03 148.98 38.52 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.408 ' O ' ' HB3' ' A' ' 69' ' ' SER . 18.2 Cg_endo -75.05 164.65 32.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.511 1.795 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.514 ' CE2' ' HD2' ' A' ' 70' ' ' LYS . 9.3 t80 -81.72 -39.04 24.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -53.19 -51.28 62.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.608 1.193 . . . . 0.0 110.28 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.12 -34.45 76.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.404 1.065 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.468 ' HB2' ' CA ' ' A' ' 74' ' ' GLY . 1.6 p -64.32 -51.98 60.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.445 1.09 . . . . 0.0 109.997 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.514 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 2.1 pttm -68.77 -13.73 62.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.64 -44.2 57.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -106.53 -69.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' SER . 3.2 m-85 -133.12 -84.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.468 ' CA ' ' HB2' ' A' ' 69' ' ' SER . . . 71.6 4.88 59.02 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.433 1.083 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -113.08 95.24 33.85 Favored Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.547 0.793 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.574 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 18.0 Cg_endo -74.98 174.97 11.86 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.439 1.757 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.657 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 14.8 m120 -49.47 119.04 3.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.478 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -71.52 75.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.466 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 14.7 mmt180 -89.68 -174.8 4.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -65.42 -67.26 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.06 -13.3 26.68 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.496 1.123 . . . . 0.0 110.938 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.657 ' CD2' ' O ' ' A' ' 77' ' ' ASN . 0.4 OUTLIER -75.99 -36.95 59.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 0.795 . . . . 0.0 111.056 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 40.4 t -74.64 -57.64 3.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.04 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 4.7 pt-20 -57.79 -36.06 71.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.098 . . . . 0.0 110.28 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.564 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -67.57 -52.71 28.56 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.989 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -61.21 -29.57 69.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 0.727 . . . . 0.0 109.288 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.433 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.2 OUTLIER -86.59 -22.38 26.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 0.0 107.964 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -68.16 -27.95 66.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.362 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.775 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -95.79 -43.52 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.642 ' N ' HD13 ' A' ' 89' ' ' ILE . 15.8 mm-40 -70.81 -36.2 72.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.213 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.433 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 1.8 m120 -133.51 72.92 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.969 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 8.1 p90 . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 120.46 0.171 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 14' ' ' ASP . 1.9 mtpp -141.11 -179.86 6.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.336 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.463 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 31.1 p -48.62 143.96 4.69 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.461 1.101 . . . . 0.0 108.301 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.47 -0.41 85.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.555 1.159 . . . . 0.0 111.096 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 15.5 t70 -77.41 152.05 34.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 109.225 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.631 HD13 ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -116.95 127.18 53.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.741 HG23 HD22 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -146.55 176.81 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.642 1.214 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.554 ' CE1' ' HG3' ' A' ' 76' ' ' PRO . 0.2 OUTLIER -93.3 109.81 21.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.556 ' HB2' HD21 ' A' ' 63' ' ' LEU . . . -93.44 130.41 39.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.5 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 3.3 tttm -115.22 141.07 48.52 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.483 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -130.31 153.67 48.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.067 . . . . 0.0 110.98 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -56.1 124.75 18.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.68 -20.97 24.96 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.692 ' CE2' ' CD2' ' A' ' 26' ' ' TRP . 2.5 t80 -113.59 133.85 22.12 Favored Pre-proline 0 C--N 1.328 -0.361 0 O-C-N 124.473 0.749 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.41 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 18.2 Cg_endo -74.98 170.24 20.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.52 1.8 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.623 ' CE1' ' HB2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -45.12 124.43 4.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.639 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.702 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.4 OUTLIER -129.4 144.11 51.54 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.583 1.177 . . . . 0.0 108.024 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.702 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.3 Cg_endo -74.94 109.32 2.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.518 1.799 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.631 ' O ' HD13 ' A' ' 15' ' ' LEU . . . -130.1 162.09 29.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.483 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 9.0 ttt180 -102.17 154.63 18.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.586 1.179 . . . . 0.0 110.361 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.783 HD11 ' CE2' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -82.49 149.41 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.479 ' H ' HD13 ' A' ' 30' ' ' ILE . 12.8 m-20 -158.9 153.03 23.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -113.54 155.65 25.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.436 ' CE ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -73.21 118.84 72.08 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.464 1.102 . . . . 0.0 111.01 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 176.46 9.88 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 14.6 pt-20 -83.93 46.64 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.8 -54.0 2.36 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.574 1.171 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.65 -28.99 30.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.509 HG21 ' HB2' ' A' ' 42' ' ' ALA . 34.7 m -141.53 178.03 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.593 1.183 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -48.14 -79.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 41' ' ' THR . 1.1 p -146.1 -62.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 109.981 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.466 ' N ' ' OG ' ' A' ' 40' ' ' SER . 4.2 p -103.29 128.91 50.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 110.35 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.509 ' HB2' HG21 ' A' ' 38' ' ' VAL . . . -103.76 177.56 4.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -87.33 -35.87 18.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.436 ' O ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -92.67 156.0 17.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.783 ' CE2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -98.75 147.64 24.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.434 ' N ' ' HE1' ' A' ' 33' ' ' MET . 18.4 tt0 -96.52 138.41 34.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.464 HG22 HD11 ' A' ' 63' ' ' LEU . 5.6 t -134.0 141.02 45.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.606 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -113.51 103.19 11.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.95 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.525 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 5.2 m-85 -72.4 117.85 14.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.399 1.062 . . . . 0.0 110.946 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.605 ' HE2' HD21 ' A' ' 15' ' ' LEU . 25.6 m-85 -73.15 -32.14 64.7 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.455 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . -56.73 -56.79 22.9 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.556 1.16 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.6 p -90.54 -22.76 21.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 0.738 . . . . 0.0 110.392 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER 73.95 38.82 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 109.585 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -129.24 151.75 49.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.606 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 4.9 m -95.56 112.25 24.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.414 1.071 . . . . 0.0 110.442 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -114.92 137.05 52.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 0.0 109.325 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.562 ' CG ' ' O ' ' A' ' 57' ' ' PHE . 7.2 p90 -72.8 121.53 20.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.972 HD22 ' CG ' ' A' ' 62' ' ' ASP . 31.6 mt -145.12 177.62 8.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.239 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.38 -160.65 10.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.399 1.062 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -74.98 -27.69 9.83 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -33.52 70.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.972 ' CG ' HD22 ' A' ' 58' ' ' LEU . 1.3 m-20 -83.18 -7.06 59.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.741 HD22 HG23 ' A' ' 16' ' ' VAL . 10.8 mt -117.13 116.5 27.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.623 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 2.3 m-85 -113.14 136.11 21.77 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.379 1.05 . . . . 0.0 111.038 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 64' ' ' PHE . 18.5 Cg_endo -74.92 154.97 43.3 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.511 1.795 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.414 ' CZ ' ' HD2' ' A' ' 70' ' ' LYS . 9.0 t80 -56.79 -37.98 71.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -49.58 76.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.445 1.091 . . . . 0.0 110.323 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.61 -46.11 55.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 74' ' ' GLY . 0.2 OUTLIER -54.27 -50.42 67.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.414 ' HD2' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -65.17 -27.22 68.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -59.47 -39.97 85.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -98.67 -67.69 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.259 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -132.53 -63.82 0.78 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.494 1.121 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 73.08 0.49 52.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.435 1.084 . . . . 0.0 111.033 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.77 97.36 17.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.347 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.554 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 18.2 Cg_endo -74.95 174.92 11.93 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.783 . . . . 0.0 111.026 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.636 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 4.5 m-20 -49.1 120.8 4.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.595 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -72.54 75.04 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.342 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.409 ' N ' ' HB3' ' A' ' 82' ' ' PHE . 19.7 mmt180 -88.22 -175.99 5.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -70.78 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.35 -13.9 11.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.636 ' CD2' ' O ' ' A' ' 77' ' ' ASN . 0.2 OUTLIER -77.81 -33.38 52.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 110.933 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.8 t -77.81 -58.97 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.0 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' A' ' 88' ' ' GLU . 3.1 pt-20 -55.56 -38.36 69.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.39 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.815 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -65.06 -62.06 5.26 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.797 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -50.58 -30.96 14.48 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.421 0.718 . . . . 0.0 109.315 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.612 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -87.39 -27.16 22.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 107.964 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 84' ' ' GLU . 2.0 tm-20 -73.47 -19.58 60.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.088 . . . . 0.0 110.334 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.815 HG22 ' O ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -101.73 -39.65 6.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.465 ' OE1' HD21 ' A' ' 86' ' ' LEU . 17.3 mt-10 -82.57 -25.95 32.82 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.476 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.2 m120 -134.02 66.11 1.56 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.7 p30 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.474 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 11.9 p90 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.451 0.167 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -97.21 173.78 7.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.5 t -52.39 148.14 7.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 108.304 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.97 -10.21 71.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -72.04 149.97 44.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 0.79 . . . . 0.0 109.403 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.622 HD23 ' HA ' ' A' ' 29' ' ' ARG . 0.5 OUTLIER -120.75 131.23 54.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.689 HG13 ' N ' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -150.66 179.84 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.689 ' N ' HG13 ' A' ' 16' ' ' VAL . 23.5 m-85 -91.87 110.7 22.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.84 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -94.82 151.56 19.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.7 137.75 53.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.475 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -124.65 149.11 47.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.528 1.142 . . . . 0.0 110.952 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.85 120.51 8.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.391 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.18 -20.0 46.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.53 ' OH ' ' CE2' ' A' ' 26' ' ' TRP . 0.7 OUTLIER -117.37 133.73 23.19 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.433 0.725 . . . . 0.0 110.977 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 25' ' ' HIS . 18.3 Cg_endo -75.02 173.59 14.24 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.48 1.779 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.514 ' O ' ' CG ' ' A' ' 76' ' ' PRO . 0.1 OUTLIER -39.52 128.96 1.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.59 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.672 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.8 OUTLIER -138.06 152.57 72.18 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 108.05 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.672 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.1 Cg_endo -75.02 103.65 1.77 Allowed 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.591 1.837 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -126.51 143.76 51.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.622 ' HA ' HD23 ' A' ' 15' ' ' LEU . 6.9 ttp180 -91.77 160.27 15.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.808 HD13 ' H ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -89.55 144.05 9.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.808 ' H ' HD13 ' A' ' 30' ' ' ILE . 9.3 m-20 -155.21 145.82 22.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -96.8 170.94 8.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 110.401 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.95 114.03 28.81 Favored Pre-proline 0 C--N 1.323 -0.552 0 O-C-N 124.572 1.17 . . . . 0.0 111.059 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 170.48 20.32 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.454 1.765 . . . . 0.0 110.936 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -148.01 34.64 0.83 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.71 -86.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.077 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.43 14.71 30.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.602 1.189 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.663 HG22 ' H ' ' A' ' 39' ' ' LYS . 5.5 p -143.53 177.55 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.408 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.663 ' H ' HG22 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -109.16 -176.72 3.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.419 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.5 p -123.89 164.51 19.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.493 HG22 ' N ' ' A' ' 42' ' ' ALA . 93.0 m -117.76 173.86 6.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 110.465 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.493 ' N ' HG22 ' A' ' 41' ' ' THR . . . -100.31 158.63 15.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.53 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 3.4 p-10 40.44 72.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.35 145.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.54 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -126.34 152.29 46.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.83 ' OE1' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -91.75 128.82 37.73 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.484 HG11 HD12 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -129.88 118.79 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -97.22 110.6 23.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.059 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -83.75 120.5 26.1 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.492 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 9.1 m-85 -78.36 -31.52 48.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 111.072 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.546 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . -57.32 -56.96 22.29 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 p -82.59 -19.86 37.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 0.792 . . . . 0.0 110.391 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.4 t60 70.38 38.29 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.629 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -140.07 163.15 33.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.223 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.83 HG23 ' OE1' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -96.33 120.3 36.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.338 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -118.75 134.77 54.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.604 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 54.5 p90 -77.59 112.69 14.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.787 HD13 ' HB3' ' A' ' 62' ' ' ASP . 19.6 mt -133.26 177.62 7.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.56 1.162 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.76 -156.12 10.06 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.475 1.11 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 63' ' ' LEU . 17.9 Cg_endo -75.1 -44.62 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.779 . . . . 0.0 111.026 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -49.77 74.53 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.488 1.117 . . . . 0.0 109.229 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.787 ' HB3' HD13 ' A' ' 58' ' ' LEU . 1.6 m-20 -55.06 -21.58 13.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.378 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.84 ' CD1' ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -101.3 126.88 48.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.65 137.22 29.3 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.566 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 18.1 Cg_endo -75.05 173.9 13.71 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.504 1.792 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -73.95 -37.73 64.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -52.54 -50.43 62.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -47.48 52.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.357 1.036 . . . . 0.0 110.274 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 74' ' ' GLY . 4.7 p -55.84 -48.13 76.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -22.55 65.1 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -63.04 -42.54 99.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -97.65 -67.49 0.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.397 1.06 . . . . 0.0 109.38 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -132.75 -66.7 0.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 76.8 -2.44 59.51 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -123.58 96.18 43.86 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.605 0.826 . . . . 0.0 109.344 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.514 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.4 Cg_endo -74.95 174.97 11.85 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.479 1.778 . . . . 0.0 111.06 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.563 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 8.7 m-20 -52.3 131.7 33.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.51 ' HG2' ' CE1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -84.84 85.41 7.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.405 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 27.0 mmt85 -97.7 -174.9 3.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 0.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -43.23 79.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.602 1.189 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.57 -7.93 85.79 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.603 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 2.5 t80 -82.68 -48.64 10.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 0.73 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.1 OUTLIER -67.2 -51.95 47.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 88' ' ' GLU . 5.4 pt-20 -69.5 -36.16 76.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.223 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.61 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -63.5 -53.57 37.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.47 1.106 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.777 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -59.65 -28.2 67.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 0.767 . . . . 0.0 109.37 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.532 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -86.62 -20.84 27.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 107.989 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 84' ' ' GLU . 4.9 mt-10 -73.64 -22.88 59.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.788 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -100.15 -42.32 10.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.432 1.082 . . . . 0.0 109.24 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.619 ' N ' HD13 ' A' ' 89' ' ' ILE . 3.9 mt-10 -76.72 -31.62 57.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.211 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.456 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.6 m120 -133.13 72.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.227 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.7 p30 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.955 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 p90 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.467 0.175 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.04 164.94 34.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.8 t -42.2 119.47 1.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 108.256 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 112.02 -8.08 27.3 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.44 1.088 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -78.67 122.71 26.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 0.736 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.692 ' O ' HG13 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -99.86 141.96 31.98 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.692 HG13 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -164.07 177.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 109.324 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.583 ' O ' ' CE1' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -93.1 109.36 20.84 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.812 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . . . -109.62 128.73 55.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.474 ' CB ' ' HA ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -107.45 161.54 14.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.16 162.79 30.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.33 118.13 5.2 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 0.0 109.382 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.3 -15.56 49.21 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 111.048 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.585 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 2.2 t80 -109.52 135.46 20.33 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.439 0.729 . . . . 0.0 111.043 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.585 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 18.6 Cg_endo -74.96 155.88 43.16 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.583 1.833 . . . . 0.0 111.019 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.583 ' CE1' ' O ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -40.91 117.31 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.565 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.616 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -121.34 157.06 57.02 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.497 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.6 Cg_endo -74.98 103.64 1.76 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.541 1.811 . . . . 0.0 111.073 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.812 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -123.91 151.4 43.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.599 1.187 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.53 ' HB3' HD21 ' A' ' 15' ' ' LEU . 12.6 ptt180 -104.28 150.41 24.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.44 147.95 9.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 109.235 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -160.91 147.51 15.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.12 171.96 7.06 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 110.246 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.544 ' CE ' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER -73.1 132.63 82.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 111.092 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 173.83 13.79 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 111.032 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -150.92 20.99 0.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.356 1.035 . . . . 0.0 110.364 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.34 -75.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.59 -57.14 13.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.1 m -136.16 148.72 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.385 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.428 ' N ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -101.49 80.68 2.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.609 1.193 . . . . 0.0 109.26 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.0 95.71 5.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.593 1.183 . . . . 0.0 109.983 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.544 HG22 ' CE ' ' A' ' 33' ' ' MET . 70.4 p -78.07 121.14 23.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.508 ' HB3' ' CE ' ' A' ' 44' ' ' LYS . . . -104.66 151.29 23.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.49 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 3.5 p-10 -86.88 54.08 3.05 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.544 1.153 . . . . 0.0 109.38 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.508 ' CE ' ' HB3' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -153.84 178.22 10.14 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.998 ' OH ' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -109.86 126.74 54.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.485 ' OE1' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -73.77 108.09 6.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.998 HG23 ' OH ' ' A' ' 45' ' ' TYR . 12.2 p -94.35 140.05 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.49 ' HB3' ' CG ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -121.75 98.23 5.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 0.0 110.933 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -74.94 126.12 30.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 110.955 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.585 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 2.2 m-85 -87.73 -55.07 3.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 111.069 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.25 -52.45 2.8 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.457 1.098 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.505 ' CG2' ' OH ' ' A' ' 23' ' ' TYR . 47.9 p -84.56 -26.38 28.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 0.783 . . . . 0.0 110.432 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 74.06 38.43 0.56 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.545 1.153 . . . . 0.0 109.6 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -133.28 164.1 27.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.485 HG23 ' OE1' ' A' ' 46' ' ' GLN . 0.6 OUTLIER -105.71 161.32 14.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.551 ' C ' HG12 ' A' ' 47' ' ' VAL . . . -163.05 -179.66 6.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.455 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 2.6 p90 -122.65 103.76 8.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.937 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.961 HD22 ' CG ' ' A' ' 62' ' ' ASP . 67.4 mt -126.84 178.39 5.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.634 1.209 . . . . 0.0 109.308 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.32 -161.43 11.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -26.59 10.73 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.476 1.777 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -16.72 60.85 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.961 ' CG ' HD22 ' A' ' 58' ' ' LEU . 1.2 m-20 -102.48 5.58 39.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 109.378 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.72 ' CD2' ' HB2' ' A' ' 18' ' ' ALA . 5.0 mt -128.88 126.19 39.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.423 ' CD2' ' HD2' ' A' ' 65' ' ' PRO . 0.2 OUTLIER -124.96 144.64 47.6 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.91 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.423 ' HD2' ' CD2' ' A' ' 64' ' ' PHE . 18.5 Cg_endo -74.92 167.31 27.36 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -79.78 -39.73 30.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.37 -51.33 59.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.519 1.137 . . . . 0.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.59 -47.76 30.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.246 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 73' ' ' PHE . 9.9 m -53.74 -45.83 70.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.929 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -20.2 60.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -60.54 -44.79 95.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.49 ' HE2' ' CD1' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -103.15 -66.66 0.92 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.49 ' CD1' ' HE2' ' A' ' 72' ' ' LYS . 1.4 m-85 -132.09 -82.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.071 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.78 9.5 62.59 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.505 1.128 . . . . 0.0 111.075 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -114.66 94.76 38.21 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 109.229 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 174.86 12.06 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.459 1.768 . . . . 0.0 111.079 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.582 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 5.9 m-20 -49.72 127.48 16.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.456 1.097 . . . . 0.0 109.363 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.568 ' HD2' ' CZ ' ' A' ' 82' ' ' PHE . 2.5 mptp? -78.84 86.29 4.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.611 1.194 . . . . 0.0 109.267 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.553 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 13.5 mmt85 -100.96 -174.86 2.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 110.254 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.56 -53.56 22.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.403 1.064 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.69 -5.29 50.51 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.56 1.163 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.616 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 1.8 t80 -81.81 -48.5 11.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 111.054 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.588 ' O ' HD13 ' A' ' 86' ' ' LEU . 30.4 t -68.52 -54.53 16.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.505 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 4.6 pt-20 -70.31 -9.25 55.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.352 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.588 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -82.05 -64.14 1.75 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.509 1.131 . . . . 0.0 110.927 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.807 ' C ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.68 -23.93 60.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 0.789 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.695 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -86.22 -28.87 23.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 108.009 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 1.2 mm-40 -66.75 -24.01 66.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.668 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -100.17 -43.67 11.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.613 ' N ' HD13 ' A' ' 89' ' ' ILE . 1.4 mm-40 -69.85 -26.4 64.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.07 . . . . 0.0 110.332 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.519 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.3 m120 -133.5 61.68 1.67 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.429 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 9.2 p-10 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.422 ' CD2' ' O ' ' A' ' 10' ' ' TYR . 27.6 p90 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.58 0.228 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' CYS . 2.4 ptmt -121.6 -179.95 4.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.45 ' HA ' HG23 ' A' ' 30' ' ' ILE . 4.7 t -41.59 135.96 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 108.349 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.9 1.2 59.95 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.1 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -102.77 127.54 49.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.859 HD22 ' H ' ' A' ' 16' ' ' VAL . 0.9 OUTLIER -97.99 141.72 30.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.859 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -159.95 179.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.43 ' O ' ' CE1' ' A' ' 25' ' ' HIS . 10.2 m-85 -90.76 108.89 20.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.589 1.181 . . . . 0.0 110.925 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.92 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . . . -113.33 128.29 56.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.441 ' CB ' ' HA ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -108.24 163.02 13.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.341 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -132.27 163.59 28.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.65 118.0 4.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.72 -19.12 26.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.605 1.19 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.634 ' OH ' HG23 ' A' ' 52' ' ' THR . 1.4 t80 -103.0 134.48 19.77 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.581 0.813 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.573 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -75.05 157.45 42.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.398 1.736 . . . . 0.0 110.981 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.511 ' CE1' ' HB2' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -42.33 111.58 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.671 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.617 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -117.24 158.71 43.89 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 107.92 -179.904 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.456 ' HB2' HG21 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.06 103.13 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.79 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.92 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -122.04 152.02 40.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.09 137.16 43.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.805 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -63.24 142.13 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.585 1.178 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.458 ' H ' HD13 ' A' ' 30' ' ' ILE . 0.7 OUTLIER -150.45 148.88 29.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -107.58 143.0 36.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.612 1.195 . . . . 0.0 110.362 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.524 ' CG ' ' O ' ' A' ' 33' ' ' MET . 11.0 ptp -72.76 118.04 64.69 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.41 1.069 . . . . 0.0 110.959 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.91 11.96 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.616 1.85 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -131.21 36.81 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.251 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.88 -60.67 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.42 -44.25 95.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.571 1.169 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.544 HG22 ' N ' ' A' ' 39' ' ' LYS . 13.7 p -143.36 171.11 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.544 ' N ' HG22 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -109.2 111.36 22.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.5 t -121.4 177.53 5.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.118 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.4 p -118.95 179.83 4.04 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.71 127.7 42.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 174.19 -34.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.449 ' HG3' ' CE ' ' A' ' 33' ' ' MET . 32.3 pttt -115.63 178.01 4.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.805 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -132.72 151.95 51.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.422 ' O ' ' O ' ' A' ' 31' ' ' ASP . 9.7 tt0 -96.93 134.21 40.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.8 t -125.93 130.76 72.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.234 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.592 ' CE1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -107.91 98.49 8.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.911 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -72.28 125.46 27.4 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.41 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 3.5 m-85 -88.46 -55.42 3.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 111.018 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.416 ' HA2' ' CA ' ' A' ' 85' ' ' GLY . . . -39.58 -36.85 0.75 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.634 HG23 ' OH ' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -104.06 -26.53 12.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 110.367 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 74.3 36.52 0.65 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.118 . . . . 0.0 109.619 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -127.35 163.4 24.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.592 ' OG1' ' CE1' ' A' ' 48' ' ' PHE . 18.1 m -120.09 135.57 54.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.485 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.82 169.21 17.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.098 . . . . 0.0 109.22 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.541 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 53.5 p90 -92.82 118.08 30.72 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.507 1.129 . . . . 0.0 111.04 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.873 HD22 ' CG ' ' A' ' 62' ' ' ASP . 19.0 mt -144.09 178.21 8.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.7 -166.39 11.75 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.419 1.074 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -17.71 19.44 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.78 -31.03 67.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.873 ' CG ' HD22 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -93.07 -0.38 57.1 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -109.06 135.71 49.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.344 1.027 . . . . 0.0 109.318 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.511 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -132.88 140.43 37.66 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 170.32 20.69 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.439 1.758 . . . . 0.0 111.07 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.588 ' CE2' ' CD ' ' A' ' 70' ' ' LYS . 20.7 t80 -82.59 -42.03 18.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -52.02 -50.89 60.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.265 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.82 -32.93 74.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.389 1.055 . . . . 0.0 110.376 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.491 ' CB ' ' HA3' ' A' ' 74' ' ' GLY . 0.7 OUTLIER -67.61 -52.14 41.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.595 1.184 . . . . 0.0 110.041 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.588 ' CD ' ' CE2' ' A' ' 66' ' ' TYR . 0.4 OUTLIER -68.67 -11.73 60.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -45.54 33.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.367 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -106.23 -69.75 0.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.369 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 69' ' ' SER . 42.1 m-85 -133.37 -82.5 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.942 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.491 ' HA3' ' CB ' ' A' ' 69' ' ' SER . . . 70.8 25.59 75.47 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.92 93.9 22.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 109.209 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 174.92 11.94 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.454 1.765 . . . . 0.0 111.006 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.586 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 4.3 m120 -49.34 138.93 12.25 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.541 ' HD2' ' CD1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -89.93 88.7 7.42 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.473 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 6.4 mmt180 -100.22 -175.71 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -68.89 -47.03 66.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.593 1.183 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.78 -8.14 71.81 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.439 1.087 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.617 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 2.3 t80 -82.86 -44.12 15.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 0.79 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 4.6 t -69.64 -56.1 8.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.622 1.201 . . . . 0.0 109.975 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 6.6 pt-20 -68.34 -25.87 65.32 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.441 1.088 . . . . 0.0 110.235 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.543 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -72.61 -56.91 5.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.45 1.094 . . . . 0.0 111.069 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.864 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -57.56 -27.47 62.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 0.0 109.26 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.57 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -87.24 -23.55 24.69 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -69.2 -23.76 63.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.543 HG22 ' O ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -99.48 -41.66 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.207 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.504 ' N ' HD13 ' A' ' 89' ' ' ILE . 2.7 mm-40 -74.72 -27.24 60.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 110.251 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.57 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.3 m120 -133.68 60.98 1.69 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.248 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.505 0.193 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.608 ' HB2' ' HB1' ' A' ' 97' ' ' ALA . 4.5 t -179.65 140.57 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -40.1 148.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.09 128.92 56.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.015 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -68.02 151.82 46.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -69.93 -178.5 1.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.496 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -102.17 -82.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -115.56 -26.15 7.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.417 ' N ' ' HG2' ' A' ' 8' ' ' LYS . 1.4 pt-20 -119.83 141.67 49.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.631 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -66.32 142.81 57.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.67 176.26 11.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.2 t -42.69 143.27 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.172 . . . . 0.0 108.285 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.18 -2.86 85.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -86.12 129.66 34.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.262 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -102.9 127.45 50.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.364 1.04 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.717 HG23 HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -145.59 178.63 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.434 1.083 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.661 ' O ' ' CE1' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -92.3 114.75 27.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.952 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.781 ' HB2' ' CD2' ' A' ' 63' ' ' LEU . . . -110.99 130.03 55.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.67 ' HD2' ' CE1' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -111.59 153.94 25.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -130.56 162.1 30.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.96 118.61 5.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.342 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.13 -14.08 51.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -111.32 134.4 21.15 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.772 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.592 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -75.0 155.35 42.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.67 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -43.02 111.77 0.3 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.388 1.055 . . . . 0.0 109.577 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.61 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -113.25 157.79 40.03 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.576 1.173 . . . . 0.0 108.015 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 102.88 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.462 1.77 . . . . 0.0 111.063 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.716 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -125.58 147.82 49.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -94.61 160.18 14.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.729 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -87.87 144.61 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.669 ' H ' HD13 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -154.16 150.0 27.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.398 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -92.33 147.97 22.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.149 . . . . 0.0 110.272 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.473 ' CG ' ' O ' ' A' ' 33' ' ' MET . 3.0 ptt? -73.95 113.56 24.37 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 111.051 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 174.77 12.2 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -144.57 41.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.624 1.203 . . . . 0.0 110.224 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.14 -70.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 109.299 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.03 -47.94 79.72 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.349 1.031 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.1 m -138.21 177.14 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.27 103.58 14.58 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.2 m -63.42 175.54 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.055 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.2 p -117.07 -172.17 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.353 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . -100.58 177.61 4.96 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.478 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 2.6 p-10 41.33 62.05 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.2 147.26 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.729 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -129.88 152.85 48.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 31' ' ' ASP . 32.0 tt0 -89.67 127.27 35.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.4 t -123.99 134.85 65.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.602 ' CE1' ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -111.31 114.12 27.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 54' ' ' GLU . 5.7 m-85 -86.94 126.29 34.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.438 1.087 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.543 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 17.6 m-85 -78.53 -58.72 3.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.59 -56.23 2.51 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.442 1.088 . . . . 0.0 111.082 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.3 p -79.57 -31.11 41.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.767 . . . . 0.0 110.434 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.7 t60 74.29 39.35 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.641 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 49' ' ' PHE . 7.8 pt-20 -140.19 159.2 42.72 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.602 ' OG1' ' CE1' ' A' ' 48' ' ' PHE . 46.1 m -98.76 148.15 24.17 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.622 1.201 . . . . 0.0 110.407 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -147.37 140.47 25.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -75.12 100.65 4.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.959 HD13 ' HB3' ' A' ' 62' ' ' ASP . 13.2 mt -131.24 172.91 11.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.088 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.07 -157.1 9.37 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.15 . . . . 0.0 110.933 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.12 -24.2 12.86 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.447 1.762 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -72.81 -20.77 61.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.959 ' HB3' HD13 ' A' ' 58' ' ' LEU . 1.2 m-20 -105.11 10.67 33.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.781 ' CD2' ' HB2' ' A' ' 18' ' ' ALA . 7.0 mt -133.92 133.02 40.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -133.8 132.9 21.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.494 ' HA ' HG12 ' A' ' 16' ' ' VAL . 18.0 Cg_endo -74.96 162.81 36.6 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.557 1.819 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.436 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 7.5 t80 -59.14 -41.39 88.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -52.89 -48.47 67.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.252 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.43 -45.6 37.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 74' ' ' GLY . 0.5 OUTLIER -56.03 -51.25 68.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.011 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.436 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -66.18 -25.06 66.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -42.81 91.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.6 -65.77 0.99 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.515 1.134 . . . . 0.0 109.205 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -131.44 -72.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.673 1.233 . . . . 0.0 110.99 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 76.02 2.3 71.29 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.46 94.17 23.34 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.567 0.804 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.425 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.2 Cg_endo -74.94 175.56 11.06 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.435 1.755 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.572 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 3.7 m120 -48.58 140.0 8.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.14 90.35 6.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.457 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 6.0 mmm180 -100.84 -175.35 2.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 0.0 110.254 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -67.93 -45.92 72.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.13 -10.36 73.53 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.542 1.151 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.61 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 3.2 t80 -82.15 -44.24 16.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 0.727 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.2 OUTLIER -66.56 -55.23 16.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.952 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -69.33 -27.02 65.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 110.209 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.449 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -69.78 -56.39 8.36 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.001 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -58.91 -28.62 66.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 0.804 . . . . 0.0 109.36 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.559 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -85.05 -22.37 29.02 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.67 -24.86 62.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.543 ' HB ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -97.49 -44.31 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.42 ' N ' HD13 ' A' ' 89' ' ' ILE . 15.6 mm-40 -74.95 -28.62 60.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.14 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.559 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.2 m120 -134.22 67.3 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.685 HD21 HG23 ' A' ' 95' ' ' VAL . 4.3 p30 -57.55 154.68 23.47 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -50.34 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.477 1.777 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.475 ' C ' ' OD1' ' A' ' 92' ' ' ASN . 86.0 m -88.43 65.23 7.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.685 HG23 HD21 ' A' ' 92' ' ' ASN . 9.8 p -76.5 176.29 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.589 1.181 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.664 ' H ' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -178.99 -38.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.608 ' HB1' ' HB2' ' A' ' 2' ' ' SER . . . -84.11 134.21 34.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.24 126.22 12.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 109.986 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 174.92 149.96 7.53 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.474 1.109 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.611 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.534 0.785 . . . . 0.0 111.017 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.594 0.235 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.6 149.85 48.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.024 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -87.56 144.78 26.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.259 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.0 p -112.96 126.04 55.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 110.046 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -171.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.501 ' CZ ' ' OD2' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -66.69 -178.38 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -108.49 -42.12 4.65 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.425 1.078 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.438 ' HD3' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -141.22 -40.8 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.176 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 9.4 pt-20 -59.43 98.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.507 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 2.9 p90 -122.84 128.64 50.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -139.81 -178.74 5.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -40.48 133.96 1.82 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 108.331 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.34 -10.12 65.14 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.44 1.087 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.501 ' OD2' ' CZ ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -82.1 131.69 35.24 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.691 ' O ' HG13 ' A' ' 16' ' ' VAL . 0.6 OUTLIER -102.93 143.81 32.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.691 HG13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -161.97 176.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.549 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -93.97 117.38 30.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.994 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.533 ' HA ' HD23 ' A' ' 63' ' ' LEU . . . -89.6 134.62 34.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.331 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.516 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 4.1 tptt -124.61 121.65 35.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.591 1.182 . . . . 0.0 109.356 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.644 ' SD ' HD11 ' A' ' 58' ' ' LEU . 1.1 ttp -131.27 155.89 46.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.948 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -56.96 123.46 15.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.46 -18.95 30.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.539 1.149 . . . . 0.0 111.081 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 26' ' ' TRP . 25.1 t80 -110.62 122.32 38.68 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.472 0.748 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.511 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -75.0 156.92 43.0 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -41.68 114.22 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.552 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.58 ' CZ2' ' HB2' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -126.29 153.28 74.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 108.044 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.512 ' HB2' HG21 ' A' ' 89' ' ' ILE . 18.1 Cg_endo -75.06 102.87 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.401 1.738 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.532 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . . . -121.74 148.35 44.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.405 1.065 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.59 ' HA ' HD13 ' A' ' 15' ' ' LEU . 11.5 ptt180 -96.19 153.96 17.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.603 1.189 . . . . 0.0 110.21 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.953 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -80.55 146.2 7.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 109.18 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.477 ' H ' HD13 ' A' ' 30' ' ' ILE . 1.3 m-20 -148.42 152.24 36.63 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.232 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -108.61 154.03 22.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.547 ' SD ' ' NE2' ' A' ' 46' ' ' GLN . 7.9 mmm -82.27 115.34 57.25 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.591 1.182 . . . . 0.0 110.949 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 169.2 23.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -142.48 33.46 1.46 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 110.339 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -99.66 -70.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.67 -44.98 66.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.372 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.3 m -142.63 162.37 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.78 102.91 12.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.248 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 m -107.82 168.04 9.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.971 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.1 p -86.32 124.13 32.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.113 . . . . 0.0 110.406 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.92 122.29 28.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -163.01 -43.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.58 1.175 . . . . 0.0 109.353 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.47 178.69 4.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.953 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -111.77 152.3 27.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.547 ' NE2' ' SD ' ' A' ' 33' ' ' MET . 1.2 tt0 -89.16 138.33 31.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.4 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.483 ' O ' HG23 ' A' ' 55' ' ' THR . 0.4 OUTLIER -128.38 140.54 48.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.393 1.058 . . . . 0.0 109.348 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.603 ' CE2' ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -131.83 109.81 10.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 111.028 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.452 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 4.7 m-85 -80.99 120.89 25.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.564 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 5.2 m-85 -71.28 -58.42 3.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.989 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.95 -56.08 2.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.3 p -81.51 -31.07 33.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 0.752 . . . . 0.0 110.383 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' PHE . 7.6 t-80 74.54 37.84 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.659 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -121.42 177.95 4.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.603 ' OG1' ' CE2' ' A' ' 48' ' ' PHE . 24.6 m -134.11 150.84 51.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 110.412 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -156.77 171.87 19.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.232 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.836 ' C ' HD12 ' A' ' 58' ' ' LEU . 47.3 p90 -97.19 105.3 17.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.904 HD23 ' HB3' ' A' ' 62' ' ' ASP . 8.3 mp -133.46 177.65 7.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.26 -157.17 8.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -75.01 -27.74 9.75 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.482 1.78 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -69.76 -42.87 73.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.904 ' HB3' HD23 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -73.54 -8.65 56.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.533 HD23 ' HA ' ' A' ' 18' ' ' ALA . 15.7 mt -113.06 115.98 29.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.537 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 1.9 m-85 -103.21 142.57 24.85 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.375 1.047 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 64' ' ' PHE . 18.0 Cg_endo -75.02 166.49 29.07 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.539 1.81 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.594 ' CE1' ' CD ' ' A' ' 70' ' ' LYS . 5.9 t80 -81.82 -37.75 26.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.81 -49.97 69.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.235 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -68.85 -33.78 74.38 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.488 1.118 . . . . 0.0 110.34 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.486 ' CB ' ' HA3' ' A' ' 74' ' ' GLY . 0.7 OUTLIER -64.95 -53.6 43.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.977 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.594 ' CD ' ' CE1' ' A' ' 66' ' ' TYR . 3.2 pttm -66.92 -16.28 64.22 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.56 -49.13 61.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.43 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.3 -69.05 0.82 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.611 1.195 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' A' ' 69' ' ' SER . 1.5 m-85 -133.05 -83.52 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 111.009 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.486 ' HA3' ' CB ' ' A' ' 69' ' ' SER . . . 72.33 9.16 72.35 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -113.54 95.53 36.75 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.47 0.747 . . . . 0.0 109.344 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.467 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.3 Cg_endo -75.02 174.01 13.53 Favored 'Trans proline' 0 C--N 1.362 1.249 0 O-C-N 124.541 1.811 . . . . 0.0 111.052 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.526 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 4.9 m120 -49.6 130.61 20.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.208 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.607 ' CD ' ' CE1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -83.49 87.42 7.0 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.527 1.142 . . . . 0.0 109.381 179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.49 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 25.0 mmt85 -99.98 -174.54 2.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.076 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -49.86 55.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -70.22 -9.15 63.39 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.619 1.2 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.607 ' CE1' ' CD ' ' A' ' 78' ' ' LYS . 1.6 t80 -81.77 -44.58 16.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 0.8 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 22.9 t -67.28 -55.98 11.68 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.592 1.182 . . . . 0.0 109.997 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 5.1 pt-20 -69.41 -23.01 63.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.457 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -74.18 -57.09 4.9 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.973 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -58.52 -27.97 64.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 0.794 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.559 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -86.55 -22.06 26.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -70.66 -24.11 62.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.564 ' HB ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -97.71 -43.79 12.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.463 ' N ' HD13 ' A' ' 89' ' ' ILE . 1.9 mm-40 -74.78 -29.49 61.13 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 0.0 110.348 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.559 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.1 m120 -134.08 68.62 1.48 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 109.441 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.478 ' OD1' HG23 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -70.05 130.83 89.4 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -33.85 4.3 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.808 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 94' ' ' THR . 7.0 t -125.84 86.85 2.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.387 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.711 HG22 ' H ' ' A' ' 96' ' ' LYS . 3.8 p -76.07 -177.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.381 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.711 ' H ' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -171.53 -43.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.414 ' HB2' ' HD2' ' A' ' 96' ' ' LYS . . . -82.56 108.07 15.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.234 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 m 62.64 160.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 110.008 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -107.9 -158.86 20.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.592 1.183 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.609 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.497 0.763 . . . . 0.0 111.036 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.448 0.166 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.9 p -142.55 143.7 32.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.133 . . . . 0.0 110.034 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.91 159.51 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.01 115.71 30.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.979 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -103.7 169.52 8.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 109.271 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.493 ' CZ ' ' OD2' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -73.84 -177.72 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 110.282 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.427 ' CG ' ' HD3' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -109.41 -41.19 4.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.427 ' HD3' ' CG ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -141.12 -40.9 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.471 ' CG ' ' HB2' ' A' ' 6' ' ' ARG . 14.2 pt-20 -58.34 97.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.567 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 2.7 p90 -119.29 124.09 45.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' CYS . 2.5 mtpp -138.86 -179.99 6.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' LYS . 28.9 p -39.19 136.2 0.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 108.222 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.99 -6.44 81.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.493 ' OD2' ' CZ ' ' A' ' 6' ' ' ARG . 1.2 t70 -87.02 129.09 35.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.56 ' C ' HD13 ' A' ' 15' ' ' LEU . 2.9 tm? -104.53 130.69 52.45 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.162 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.871 HG23 HD22 ' A' ' 63' ' ' LEU . 1.5 m -148.38 179.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.236 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.522 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -91.25 125.68 36.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.92 ' HB2' ' CD2' ' A' ' 63' ' ' LEU . . . -125.1 135.29 52.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -122.32 149.5 43.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.422 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -131.15 160.84 33.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.89 122.42 12.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.17 -20.32 30.26 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.728 ' OH ' HG23 ' A' ' 52' ' ' THR . 5.5 t80 -111.11 131.92 21.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.951 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.462 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.6 Cg_endo -74.89 155.14 43.46 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.471 1.774 . . . . 0.0 111.052 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -41.08 116.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.664 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.59 ' CZ2' ' HB2' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -123.61 157.33 62.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.6 1.188 . . . . 0.0 107.952 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.523 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -74.99 103.64 1.77 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.687 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -121.76 145.77 47.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -94.28 160.19 14.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.333 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.775 HD13 ' H ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -85.95 147.32 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.15 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.775 ' H ' HD13 ' A' ' 30' ' ' ILE . 3.3 m-20 -156.67 150.51 24.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.88 152.26 18.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.08 117.78 65.51 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 171.35 18.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.42 1.747 . . . . 0.0 111.008 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -145.59 36.08 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.58 -65.79 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.232 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.56 -49.16 77.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.359 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.8 m -137.41 177.08 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.352 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.92 107.62 19.17 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.1 m -68.47 176.45 2.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.044 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 48.4 p -115.67 -173.32 2.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -103.41 -179.92 4.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.443 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 2.3 p-10 41.28 59.88 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.37 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.513 ' HE3' ' CD1' ' A' ' 57' ' ' PHE . 4.2 ptmm? -172.48 147.26 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.717 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -127.83 152.35 47.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 31' ' ' ASP . 34.8 tt0 -93.02 130.61 38.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 110.248 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.491 HG11 ' HE1' ' A' ' 49' ' ' PHE . 1.7 t -125.77 139.91 50.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.47 1.106 . . . . 0.0 109.217 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.58 ' CE1' ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -115.84 109.69 18.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 111.076 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.491 ' HE1' HG11 ' A' ' 47' ' ' VAL . 3.5 m-85 -81.18 126.1 31.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.517 ' CG ' ' HB ' ' A' ' 89' ' ' ILE . 9.8 m-85 -77.22 -59.05 2.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.165 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . -38.45 -56.64 1.93 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.728 HG23 ' OH ' ' A' ' 23' ' ' TYR . 23.8 p -81.49 -31.27 32.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.397 0.704 . . . . 0.0 110.352 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.5 t60 74.61 39.14 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.6 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -136.76 154.81 50.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.075 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.58 ' OG1' ' CE1' ' A' ' 48' ' ' PHE . 23.5 m -96.18 151.64 19.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -153.7 150.4 28.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.251 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.771 ' C ' HD12 ' A' ' 58' ' ' LEU . 25.7 m-85 -76.68 109.56 10.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.81 HD23 ' HB3' ' A' ' 62' ' ' ASP . 6.7 mp -141.54 176.99 8.44 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.516 1.135 . . . . 0.0 109.365 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.58 -155.85 6.61 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.454 1.096 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.3 Cg_endo -74.92 -25.18 12.28 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.579 1.831 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.28 -28.85 64.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.81 ' HB3' HD23 ' A' ' 58' ' ' LEU . 15.8 m-20 -96.62 -2.29 45.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.92 ' CD2' ' HB2' ' A' ' 18' ' ' ALA . 11.7 mt -117.55 143.64 45.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.403 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 1.2 t80 -135.91 145.73 53.9 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.487 1.117 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 64' ' ' PHE . 18.3 Cg_endo -74.98 166.16 29.8 Favored 'Trans proline' 0 C--N 1.362 1.259 0 O-C-N 124.474 1.776 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.433 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 5.1 t80 -81.77 -35.47 29.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -50.49 72.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.23 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -68.94 -47.65 65.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.435 ' HB2' ' CA ' ' A' ' 74' ' ' GLY . 5.4 p -59.16 -51.37 70.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.974 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.433 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -68.01 -13.7 62.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -50.91 41.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.28 -67.67 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' SER . 6.1 m-85 -132.55 -85.35 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 111.045 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.435 ' CA ' ' HB2' ' A' ' 69' ' ' SER . . . 71.26 9.9 68.58 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -113.89 95.25 37.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.477 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.3 Cg_endo -75.06 174.94 11.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.546 1.814 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.463 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 3.2 m120 -49.09 136.48 14.72 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.511 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -90.47 91.48 8.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.098 . . . . 0.0 109.355 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 6.1 mmt180 -100.54 -175.44 2.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.358 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -43.47 78.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.76 -10.61 80.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.42 1.075 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.59 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 3.3 t80 -81.52 -46.5 14.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 0.786 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.1 OUTLIER -66.17 -55.3 16.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.168 . . . . 0.0 110.024 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -69.32 -26.3 64.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.267 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.447 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -69.79 -57.09 7.45 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.933 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.62 -30.43 67.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.633 0.843 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.548 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -82.99 -20.94 34.17 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.51 -24.15 60.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.517 ' HB ' ' CG ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -98.21 -45.05 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.234 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.423 ' N ' HD13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -74.57 -28.59 61.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.342 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.533 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.2 m120 -134.48 61.27 1.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.585 1.178 . . . . 0.0 109.225 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.449 ' ND2' ' N ' ' A' ' 92' ' ' ASN . 0.1 OUTLIER -63.42 146.64 96.2 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -32.55 5.22 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.494 1.786 . . . . 0.0 111.068 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.681 HG23 ' O ' ' A' ' 94' ' ' THR . 13.4 t -126.84 92.88 3.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.412 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.701 HG22 ' H ' ' A' ' 96' ' ' LYS . 1.9 p -81.41 -173.67 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.701 ' H ' HG22 ' A' ' 95' ' ' VAL . 12.3 pttt 179.7 -36.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -45.36 120.92 2.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.3 p -40.77 140.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 110.023 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 131.19 -74.85 0.43 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.547 1.155 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.614 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.475 0.75 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.516 0.198 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.65 153.1 51.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 ptt85 -99.37 146.14 26.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.158 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.6 m -94.83 138.88 32.05 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.568 1.167 . . . . 0.0 109.942 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -105.02 -179.98 4.1 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.387 1.055 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -83.79 -178.76 7.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.431 ' CG ' ' HD3' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -108.98 -41.86 4.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.431 ' HD3' ' CG ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -140.6 -38.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 14.4 pt-20 -67.04 103.22 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.07 . . . . 0.0 110.26 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.498 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 2.8 p90 -141.02 127.72 20.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.634 1.209 . . . . 0.0 111.036 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.34 -179.7 5.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.7 t -43.0 142.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 108.194 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.85 -21.87 40.48 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.538 1.149 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.5 ' OD2' ' CZ ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -76.05 138.48 40.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.395 0.703 . . . . 0.0 109.282 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.824 ' O ' HG13 ' A' ' 16' ' ' VAL . 34.2 tp -112.82 141.74 46.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.407 1.067 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.96 HG23 HD22 ' A' ' 63' ' ' LEU . 2.2 m -164.01 178.33 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -92.52 120.15 32.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.585 ' HA ' HD23 ' A' ' 63' ' ' LEU . . . -88.04 147.57 24.92 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.576 1.172 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 6.8 tptm -137.27 118.39 14.43 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.557 ' SD ' HD21 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -134.22 165.56 24.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.68 135.63 51.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.0 6.24 12.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.425 1.078 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.609 ' CE1' ' HB2' ' A' ' 26' ' ' TRP . 15.2 t80 -126.81 115.18 22.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 0.0 110.955 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.574 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -74.91 156.9 43.41 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.479 1.778 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -46.76 117.72 1.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.608 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.609 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -134.03 158.56 75.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.601 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.3 Cg_endo -74.91 103.44 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.532 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -121.54 145.55 47.84 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.477 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -94.85 140.46 29.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.853 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -73.37 141.37 16.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.506 ' O ' ' CB ' ' A' ' 46' ' ' GLN . 5.4 m-20 -144.9 147.52 32.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -96.75 148.55 22.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.305 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.414 ' CG ' ' O ' ' A' ' 33' ' ' MET . 5.6 ptm -77.88 118.48 72.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.179 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 174.06 13.44 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.533 1.807 . . . . 0.0 111.032 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -103.86 29.75 5.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.259 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.17 -63.74 1.37 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.56 -46.54 85.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -143.25 177.06 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.0 144.62 57.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.1 t -96.61 74.38 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.062 . . . . 0.0 110.07 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.512 HG22 ' H ' ' A' ' 42' ' ' ALA . 86.8 m -117.09 174.2 6.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.501 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.512 ' H ' HG22 ' A' ' 41' ' ' THR . . . -100.57 127.84 46.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.419 1.074 . . . . 0.0 109.353 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.3 p30 168.93 -32.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -146.31 144.3 29.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.853 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -104.7 152.19 22.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.506 ' CB ' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -84.32 133.09 34.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.665 HG11 HD12 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -124.64 145.51 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.249 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.6 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -137.42 113.73 10.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.154 . . . . 0.0 110.978 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.414 ' HB2' ' OG1' ' A' ' 52' ' ' THR . 3.7 m-85 -85.7 129.79 34.73 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.551 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 12.8 m-85 -79.85 -60.61 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.06 -57.54 2.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.569 1.168 . . . . 0.0 111.052 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.414 ' OG1' ' HB2' ' A' ' 49' ' ' PHE . 33.9 p -78.94 -28.71 43.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 0.766 . . . . 0.0 110.485 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 70.69 40.71 0.98 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 109.583 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -123.06 165.39 16.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.6 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 1.3 m -123.32 143.24 50.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.407 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.448 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -153.03 -179.69 7.91 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.464 1.103 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.457 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 41.6 p90 -107.49 115.22 29.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.694 HD22 ' CG ' ' A' ' 62' ' ' ASP . 95.2 mt -141.5 176.74 8.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.1 -157.17 8.96 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -29.5 8.14 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.538 1.81 . . . . 0.0 111.053 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -35.03 77.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.694 ' CG ' HD22 ' A' ' 58' ' ' LEU . 2.5 m-20 -86.73 2.0 50.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.377 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.96 HD22 HG23 ' A' ' 16' ' ' VAL . 15.2 mt -121.55 120.76 35.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -112.11 140.45 23.54 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.395 1.059 . . . . 0.0 110.998 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 64' ' ' PHE . 18.3 Cg_endo -75.11 169.69 22.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -82.47 -39.22 22.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -51.26 64.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -47.62 75.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.491 ' CB ' ' HA3' ' A' ' 74' ' ' GLY . 1.2 p -55.91 -50.2 71.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.029 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -11.73 61.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.28 -49.73 53.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.0 -67.6 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 69' ' ' SER . 0.2 OUTLIER -132.83 -75.64 0.49 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.591 1.182 . . . . 0.0 110.995 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.491 ' HA3' ' CB ' ' A' ' 69' ' ' SER . . . 61.06 33.42 83.99 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -129.86 94.65 30.95 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.462 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.6 Cg_endo -74.98 173.74 13.99 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.789 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -49.93 111.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 109.245 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.406 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -71.15 86.05 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.475 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 24.3 mmt180 -100.59 -175.93 3.05 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.589 1.181 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -65.75 -43.68 88.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.29 -10.64 60.19 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.528 1.142 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.475 ' HB3' ' O ' ' A' ' 79' ' ' ARG . 1.2 t80 -80.52 -50.43 10.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.411 0.713 . . . . 0.0 111.089 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -65.9 -54.08 31.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.964 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -70.71 -16.14 62.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.568 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -78.11 -59.45 2.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.824 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.41 -26.26 63.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.554 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -87.1 -22.54 25.33 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.37 -21.73 61.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.577 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -100.92 -41.57 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.362 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.537 ' N ' HD13 ' A' ' 89' ' ' ILE . 6.1 mm-40 -77.74 -26.91 50.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.389 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.554 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.7 m120 -133.53 66.6 1.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.15 140.96 95.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.593 1.183 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.85 -41.62 0.68 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.543 1.812 . . . . 0.0 111.069 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.502 ' O ' HG22 ' A' ' 94' ' ' THR . 1.8 m -142.64 79.27 1.65 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.4 HG13 ' O ' ' A' ' 95' ' ' VAL . 3.6 p -56.53 98.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -35.18 79.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -150.27 106.01 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.322 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.76 164.63 16.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.973 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -71.65 -72.04 0.97 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.949 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.608 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.409 0 O-C-N 124.499 0.764 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mtm . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.448 0.166 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 p -169.89 125.49 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.958 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.82 165.32 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.593 1.183 . . . . 0.0 110.214 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m -110.8 137.76 48.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.614 1.196 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -63.13 152.7 36.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.18 . . . . 0.0 109.341 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.522 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -64.43 -177.35 0.29 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 110.347 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.409 HE22 ' CG ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -115.14 -71.3 0.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' C ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -115.2 -24.86 8.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.285 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.522 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 0.9 OUTLIER -81.15 112.42 18.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 110.213 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.55 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 4.0 p90 -141.01 124.22 16.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.2 179.44 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.47 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 2.4 t -52.21 149.3 5.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 108.296 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.08 2.39 90.58 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.513 1.133 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.513 ' OD2' ' CZ ' ' A' ' 6' ' ' ARG . 13.8 t70 -92.81 136.29 33.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.647 0.851 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.831 HD22 ' N ' ' A' ' 16' ' ' VAL . 1.0 OUTLIER -99.79 137.22 38.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.831 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -154.04 177.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.224 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -93.1 116.18 28.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.813 ' HB2' HD11 ' A' ' 63' ' ' LEU . . . -102.63 125.32 49.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.475 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 2.6 tttm -108.69 142.76 38.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.487 ' O ' ' O ' ' A' ' 23' ' ' TYR . 3.0 ttp -130.19 154.02 47.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -56.76 124.76 19.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.59 -19.05 34.69 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.726 ' CE2' ' CD2' ' A' ' 26' ' ' TRP . 2.1 t80 -115.99 134.54 22.73 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.432 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 18.3 Cg_endo -75.02 169.99 21.39 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.026 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.475 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -45.68 121.04 2.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.554 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.726 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -124.3 145.14 47.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.712 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.5 Cg_endo -74.89 106.32 2.25 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.442 1.759 . . . . 0.0 111.061 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.512 ' HB2' ' HA ' ' A' ' 49' ' ' PHE . . . -128.34 157.9 39.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 5.7 ptt180 -99.27 150.99 21.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.801 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -78.72 145.18 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.222 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.511 ' H ' HD13 ' A' ' 30' ' ' ILE . 1.0 OUTLIER -150.99 147.11 26.74 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -106.05 163.09 13.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.369 1.043 . . . . 0.0 110.283 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.73 134.72 75.25 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.999 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 163.8 34.52 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.514 1.797 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -144.04 31.41 1.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.399 1.062 . . . . 0.0 110.375 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.35 -62.89 1.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.05 -56.06 26.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.9 m -137.77 177.17 5.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.03 99.16 8.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.27 -176.74 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.998 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.5 p -117.41 134.48 54.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.66 123.38 28.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.6 p30 171.22 -33.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.51 168.94 10.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.603 1.189 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.801 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -122.17 144.61 48.84 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.395 1.059 . . . . 0.0 111.005 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.63 140.93 31.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.1 t -137.54 132.1 44.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.603 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -109.46 107.46 17.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.042 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.512 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 5.8 m-85 -76.52 119.39 20.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 29' ' ' ARG . 49.0 m-85 -72.8 -31.49 64.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.43 ' HA3' ' NE1' ' A' ' 26' ' ' TRP . . . -59.33 -56.99 22.06 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 111.072 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.3 p -87.79 -23.12 24.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 110.373 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 49' ' ' PHE . 8.4 t-160 72.19 40.21 0.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.405 1.066 . . . . 0.0 109.65 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -133.75 155.45 49.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.426 1.079 . . . . 0.0 110.23 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.603 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 2.3 m -97.48 116.03 28.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.395 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.58 150.19 33.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.618 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 41.0 p90 -86.4 109.66 19.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 0.0 111.025 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.636 HD22 ' CG ' ' A' ' 62' ' ' ASP . 66.5 mt -134.46 176.75 8.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.162 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.08 -162.57 12.38 Favored Glycine 0 CA--C 1.528 0.904 0 O-C-N 124.614 1.197 . . . . 0.0 111.067 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.416 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -75.01 -33.12 4.8 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.419 1.747 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -38.26 87.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.636 ' CG ' HD22 ' A' ' 58' ' ' LEU . 2.3 m-20 -72.05 -10.22 59.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.813 HD11 ' HB2' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -113.98 116.63 29.52 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.407 1.067 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.413 ' HB2' ' NE2' ' A' ' 25' ' ' HIS . 1.5 m-85 -122.3 148.86 53.44 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 167.57 26.75 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.505 1.792 . . . . 0.0 110.962 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.56 ' CE2' ' HD2' ' A' ' 70' ' ' LYS . 8.8 t80 -70.66 -38.09 73.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.169 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.0 -50.23 61.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.563 1.164 . . . . 0.0 110.264 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 71' ' ' GLU . 1.4 mt-10 -65.9 -47.92 73.19 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 74' ' ' GLY . 0.3 OUTLIER -51.99 -53.1 45.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.563 1.164 . . . . 0.0 109.943 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.56 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -62.34 -23.4 66.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 4.1 tt0 -60.84 -44.05 97.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.44 -66.7 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 3.0 p90 -133.09 -52.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 111.037 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 69.72 1.59 31.94 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.531 1.145 . . . . 0.0 111.087 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -133.13 98.22 15.84 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.474 0.749 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.47 11.19 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.059 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.639 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 2.5 m120 -48.34 117.07 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.612 1.195 . . . . 0.0 109.221 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.673 ' CD ' ' CZ ' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -73.33 75.82 1.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.592 1.182 . . . . 0.0 109.235 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.49 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 13.1 mmt180 -90.75 -173.67 3.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -66.58 -63.4 1.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -61.79 -11.69 31.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.107 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.673 ' CZ ' ' CD ' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -78.52 -38.81 39.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.594 0.82 . . . . 0.0 111.057 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.3 t -74.24 -58.13 3.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.575 1.172 . . . . 0.0 110.066 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 88' ' ' GLU . 4.8 pt-20 -63.64 -30.88 71.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.59 1.181 . . . . 0.0 110.341 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.547 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -68.77 -53.7 18.49 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.578 1.174 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.804 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -61.18 -28.18 68.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.759 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.567 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -87.03 -21.55 26.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 107.921 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' GLU . 5.2 mt-10 -70.19 -27.09 64.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.574 HG21 ' HB2' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -95.21 -43.94 13.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.503 ' N ' HD13 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -73.58 -30.99 63.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.343 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.535 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.2 m120 -133.88 69.33 1.47 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.563 HD21 HG23 ' A' ' 95' ' ' VAL . 6.7 p30 -64.94 151.74 92.56 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.56 1.163 . . . . 0.0 109.365 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -32.8 4.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 111.026 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 94' ' ' THR . 8.8 t -127.28 92.59 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 110.39 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.644 HG22 ' H ' ' A' ' 96' ' ' LYS . 9.7 p -82.52 175.35 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.644 ' H ' HG22 ' A' ' 95' ' ' VAL . 5.2 pttp -163.94 -43.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -42.04 102.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 109.367 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.7 m -51.52 -58.12 7.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.42 1.075 . . . . 0.0 110.048 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.09 103.11 2.98 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.618 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.573 0.808 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 tpt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.501 0.191 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -158.37 170.56 21.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.79 155.6 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.349 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.6 p -106.41 137.22 44.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' A' ' 6' ' ' ARG . 0.3 OUTLIER -118.4 -170.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.491 ' CD ' ' HB3' ' A' ' 9' ' ' GLU . 10.6 ptp180 -72.34 156.98 38.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 110.378 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.462 ' HG2' ' N ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -60.62 -126.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.543 ' C ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -81.17 12.06 3.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.396 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.491 ' HB3' ' CD ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -54.62 133.95 46.72 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.414 1.072 . . . . 0.0 110.304 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.541 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 5.0 p90 -147.54 120.94 9.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 111.055 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 14' ' ' ASP . 2.9 mtpt -128.62 173.43 10.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.463 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 0.6 OUTLIER -46.95 141.27 4.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 108.276 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.02 -2.71 88.15 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 7.9 t70 -88.04 141.15 28.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 0.732 . . . . 0.0 109.39 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.902 HD22 ' N ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -103.3 141.51 35.79 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 0.0 109.254 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.902 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -155.25 178.29 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -91.88 116.12 28.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.396 1.06 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.919 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -112.36 131.27 55.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.427 ' HB3' ' ND1' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -120.24 155.39 33.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.35 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.55 164.46 26.58 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -57.03 118.23 4.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.378 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.0 -18.88 29.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.438 1.086 . . . . 0.0 111.041 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.61 ' OH ' HG23 ' A' ' 52' ' ' THR . 4.3 t80 -103.03 132.44 21.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.599 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -75.04 154.59 42.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.489 ' CE1' ' HB2' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -42.92 111.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.638 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.624 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -114.75 153.61 46.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 107.948 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.548 ' HB2' HG21 ' A' ' 89' ' ' ILE . 18.5 Cg_endo -74.96 103.61 1.76 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.55 1.816 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.694 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -123.98 149.71 45.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -92.68 160.51 14.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.728 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -86.65 145.69 7.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.391 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.722 ' H ' HD13 ' A' ' 30' ' ' ILE . 1.0 OUTLIER -156.49 151.23 25.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.155 . . . . 0.0 109.329 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -90.19 143.15 27.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.419 ' SD ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -73.23 145.22 85.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 111.003 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 33' ' ' MET . 18.2 Cg_endo -75.04 165.1 31.98 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.39 1.732 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -139.12 26.59 2.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.2 -48.31 2.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.13 -47.8 33.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.4 m -143.11 177.27 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.338 1.024 . . . . 0.0 109.316 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.05 157.23 17.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 p -92.96 165.32 12.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.03 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 57.0 p -120.21 -171.9 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.75 133.99 54.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.418 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 3.4 p-10 40.54 82.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.373 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.419 ' O ' ' SD ' ' A' ' 33' ' ' MET . 14.7 tttp -144.91 128.23 16.83 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.728 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -134.56 152.35 51.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.413 ' O ' ' O ' ' A' ' 31' ' ' ASP . 8.5 tt0 -91.39 141.54 28.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.174 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.469 HG13 ' HB1' ' A' ' 28' ' ' ALA . 2.1 t -136.16 146.01 29.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.281 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.592 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -118.21 107.37 13.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 111.064 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -77.65 127.97 33.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.562 1.164 . . . . 0.0 111.057 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 20.1 m-85 -81.27 -57.2 3.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.48 -48.49 2.99 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.61 HG23 ' OH ' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -91.18 -30.31 16.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.747 . . . . 0.0 110.366 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 42.9 t60 74.41 38.69 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.611 1.194 . . . . 0.0 109.593 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -131.57 149.17 52.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.259 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.592 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 2.8 m -94.49 112.77 24.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.433 1.083 . . . . 0.0 110.384 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -116.73 147.68 41.79 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.599 1.187 . . . . 0.0 109.285 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 5.1 p90 -84.53 121.96 28.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.91 HD22 ' CG ' ' A' ' 62' ' ' ASP . 82.9 mt -140.91 174.81 10.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.17 . . . . 0.0 109.242 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -116.38 -159.39 11.74 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -38.72 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -62.37 -42.87 99.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.615 1.197 . . . . 0.0 109.304 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.91 ' CG ' HD22 ' A' ' 58' ' ' LEU . 1.9 m-20 -63.56 -24.32 67.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.919 ' CD1' ' HB2' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -98.01 145.46 26.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.391 1.057 . . . . 0.0 109.312 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.489 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -137.98 138.84 24.4 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 110.973 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.401 ' O ' ' CB ' ' A' ' 69' ' ' SER . 17.9 Cg_endo -75.11 173.95 13.62 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.438 1.757 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.503 ' HA ' ' HG ' ' A' ' 69' ' ' SER . 0.5 OUTLIER -80.93 -31.44 35.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.901 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 2.5 tt0 -71.25 -43.94 66.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -75.53 -48.17 23.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.579 1.174 . . . . 0.0 110.199 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.503 ' HG ' ' HA ' ' A' ' 66' ' ' TYR . 87.4 p -55.24 -47.16 75.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -69.75 -23.81 63.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 67' ' ' GLU . 8.9 tt0 -59.69 -43.96 93.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.234 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -93.74 -67.81 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 109.348 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -132.64 -66.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 72.99 0.61 52.74 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.587 1.18 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -128.15 95.37 33.99 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 174.47 12.74 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.462 1.77 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.597 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 5.2 m120 -49.57 133.01 21.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.548 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -84.27 84.55 7.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.493 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 9.7 mmt-85 -96.57 -174.44 3.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.347 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -68.79 -50.67 48.35 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.445 1.091 . . . . 0.0 109.257 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -71.04 -7.2 62.03 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.417 1.073 . . . . 0.0 110.989 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.624 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 2.0 t80 -82.97 -46.01 13.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.763 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.6 OUTLIER -66.96 -54.53 21.02 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 88' ' ' GLU . 6.5 pt-20 -69.08 -31.86 70.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 110.318 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.575 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -66.23 -52.44 36.25 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.777 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -62.36 -28.16 69.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 0.782 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.581 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -86.28 -20.75 27.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 108.017 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.9 OUTLIER -72.39 -25.81 61.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.768 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -97.55 -41.33 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.568 ' N ' HD13 ' A' ' 89' ' ' ILE . 6.3 mt-10 -76.78 -31.31 56.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.526 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.4 m120 -133.4 72.34 1.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.377 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.466 ' CB ' ' HB ' ' A' ' 95' ' ' VAL . 0.8 OUTLIER -64.36 156.71 75.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.251 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -55.51 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.5 m -150.34 49.24 0.89 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.377 1.048 . . . . 0.0 110.352 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.466 ' HB ' ' CB ' ' A' ' 92' ' ' ASN . 41.3 t -94.65 138.5 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -120.65 -40.91 2.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.0 97.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.2 p -154.36 168.17 27.51 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.428 1.08 . . . . 0.0 109.968 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -155.11 149.88 21.23 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.586 1.179 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.606 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 110.932 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.406 0.146 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m -131.55 109.61 10.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.597 1.186 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 138.02 39.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 110.264 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.7 p -109.55 117.04 32.91 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.446 1.091 . . . . 0.0 109.963 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 6' ' ' ARG . 13.8 p-10 -107.48 -175.99 2.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.427 ' O ' ' ND2' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -106.86 -178.57 3.69 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.54 1.15 . . . . 0.0 110.329 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -111.9 -42.41 3.79 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -140.58 -36.92 0.46 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.405 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.437 ' N ' ' HG2' ' A' ' 8' ' ' LYS . 10.8 pt-20 -63.58 103.4 0.53 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.547 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 8.4 p90 -116.52 123.58 47.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.421 1.076 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 12' ' ' CYS . 0.4 OUTLIER -139.51 -179.91 6.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 11' ' ' LYS . 5.6 t -41.35 146.41 0.21 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.123 . . . . 0.0 108.28 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.52 -1.06 88.45 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.558 1.161 . . . . 0.0 111.032 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -88.07 131.03 34.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 0.753 . . . . 0.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.957 HD22 ' N ' ' A' ' 16' ' ' VAL . 0.4 OUTLIER -100.86 135.82 41.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.957 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.01 178.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -91.7 117.97 30.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.528 ' HB2' ' HB3' ' A' ' 28' ' ' ALA . . . -89.27 138.92 31.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.557 1.161 . . . . 0.0 109.22 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 8.0 tptt -132.35 119.53 20.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.569 1.168 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.765 ' SD ' HD21 ' A' ' 58' ' ' LEU . 1.5 ttt -134.42 168.13 19.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -57.14 136.46 56.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.7 9.27 12.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.603 ' CE1' ' HB2' ' A' ' 26' ' ' TRP . 16.4 t80 -128.47 114.62 19.64 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.478 0.752 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.579 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -75.01 156.44 42.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.537 ' CE1' ' HB2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -46.25 116.4 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.337 1.023 . . . . 0.0 109.584 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.613 ' CZ2' ' HB2' ' A' ' 82' ' ' PHE . 0.7 OUTLIER -132.29 159.04 73.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.664 ' HB2' HG21 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.92 102.73 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.477 1.777 . . . . 0.0 111.008 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . . . -122.44 148.8 44.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.55 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 14.3 ttt180 -101.56 138.19 38.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.356 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.563 HD11 ' CD1' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -65.49 149.11 11.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.376 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -150.99 153.49 35.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 109.255 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.45 ' O ' ' NE2' ' A' ' 46' ' ' GLN . 9.8 tt0 -107.35 167.52 9.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.537 1.148 . . . . 0.0 110.361 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.424 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -75.07 137.44 72.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 110.912 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 33' ' ' MET . 18.5 Cg_endo -75.09 167.53 26.76 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.43 1.753 . . . . 0.0 110.972 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -146.07 29.52 1.08 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.49 1.119 . . . . 0.0 110.243 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.16 -57.46 2.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.413 1.07 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.8 -58.49 4.94 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.8 m -136.16 177.16 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 109.358 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.58 76.6 1.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.35 165.79 0.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.3 p -92.09 125.22 36.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.452 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.54 124.01 29.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.2 p30 169.78 -32.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 109.239 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -108.77 177.05 4.89 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.563 ' CD1' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -117.25 152.24 35.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.979 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 31' ' ' ASP . 1.3 tt0 -94.86 135.86 35.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.407 1.067 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.422 HG11 HD12 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -119.74 139.48 46.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.505 1.128 . . . . 0.0 109.377 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.22 103.12 6.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -76.81 121.86 23.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 29' ' ' ARG . 3.0 m-85 -77.22 -59.41 2.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.31 -56.56 2.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.4 p -80.69 -29.52 36.51 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 0.773 . . . . 0.0 110.4 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 74.44 38.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.533 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.04 179.08 4.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.78 161.79 36.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -174.23 179.53 1.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.581 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 42.6 p90 -111.96 105.39 13.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 111.065 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.765 HD21 ' SD ' ' A' ' 20' ' ' MET . 71.4 mt -123.17 177.44 5.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.365 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.2 -157.56 10.6 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.415 1.072 . . . . 0.0 111.054 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -75.05 -43.07 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.95 -43.21 86.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.746 ' CG ' HD22 ' A' ' 58' ' ' LEU . 1.7 m-20 -64.81 -12.03 43.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -112.72 116.66 30.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.5 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -110.87 138.36 21.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 64' ' ' PHE . 18.5 Cg_endo -74.86 170.06 21.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.477 1.777 . . . . 0.0 110.977 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.58 ' CE2' ' HD2' ' A' ' 70' ' ' LYS . 17.3 t80 -82.17 -40.24 22.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 111.065 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.9 -51.92 53.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 110.26 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.21 -47.0 69.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.46 ' HB2' ' CA ' ' A' ' 74' ' ' GLY . 19.7 p -54.9 -50.44 68.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.073 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.58 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -68.94 -15.92 63.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -44.18 74.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -106.38 -68.13 0.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' SER . 8.4 m-85 -133.06 -85.56 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 111.054 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.46 ' CA ' ' HB2' ' A' ' 69' ' ' SER . . . 72.08 18.86 78.13 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.077 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.57 93.75 47.72 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.568 0.805 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.497 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.3 Cg_endo -74.95 173.94 13.63 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.442 1.759 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.496 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 5.6 m120 -49.27 125.83 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.502 ' HD3' ' CD1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -81.26 86.41 6.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.411 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.52 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 22.5 mmt180 -99.93 -174.76 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 110.279 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -68.26 -47.68 67.08 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.417 1.073 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.64 -7.36 69.06 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.613 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 1.8 t80 -82.39 -47.51 12.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 0.731 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 47.3 t -66.99 -53.48 31.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.441 1.088 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 88' ' ' GLU . 5.7 pt-20 -69.29 -31.39 69.85 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.564 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -66.34 -54.96 20.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 0.0 111.083 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.802 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -59.65 -28.35 67.17 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.41 0.712 . . . . 0.0 109.354 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.605 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -86.24 -21.37 27.45 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.4 OUTLIER -72.14 -24.23 61.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.808 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -99.74 -43.68 11.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.642 ' N ' HD13 ' A' ' 89' ' ' ILE . 10.3 mm-40 -74.32 -30.17 61.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.527 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.9 m120 -132.96 69.9 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.481 HD21 ' C ' ' A' ' 92' ' ' ASN . 0.2 OUTLIER -74.0 144.21 81.95 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.14 -35.95 2.75 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.9 m -140.72 81.0 1.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.557 1.16 . . . . 0.0 110.408 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.584 ' O ' HG13 ' A' ' 95' ' ' VAL . 14.9 p -58.35 99.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.21 -32.94 74.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -152.53 166.15 32.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.84 -61.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.023 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -88.72 -151.87 24.3 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.569 1.168 . . . . 0.0 111.049 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.609 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.435 0.726 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 tmm? . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.502 0.191 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.2 p -174.76 109.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.969 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.5 ptt-85 -61.59 148.66 41.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.83 116.34 31.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 110.031 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -83.0 174.69 10.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.216 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.493 ' CZ ' ' OD1' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -85.53 -178.99 6.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.44 ' HG2' ' CD ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -109.23 -43.09 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.498 ' HG2' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -140.69 -36.11 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.085 . . . . 0.0 109.344 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.498 ' N ' ' HG2' ' A' ' 8' ' ' LYS . 16.4 pt-20 -70.17 104.07 2.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.255 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -138.46 139.48 38.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -136.41 -179.75 5.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 11' ' ' LYS . 29.9 p -40.73 145.71 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 108.327 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.09 -1.24 86.51 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.493 ' OD1' ' CZ ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -76.92 135.34 38.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 0.785 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.599 HD22 ' HG3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -111.87 133.97 53.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.676 HG13 ' N ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -164.2 178.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.676 ' N ' HG13 ' A' ' 16' ' ' VAL . 3.0 m-85 -93.39 108.82 20.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.81 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -89.44 144.63 25.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.482 ' HD3' ' CG ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -115.53 136.93 52.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.469 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -126.26 150.6 48.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 110.98 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.59 124.58 17.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.396 1.06 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.2 -19.23 28.02 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.602 ' OH ' ' CZ2' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -113.71 131.82 22.88 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 110.994 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.1 Cg_endo -74.99 175.34 11.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.505 ' CD2' ' HB2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -43.74 121.18 2.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.606 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.692 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.5 OUTLIER -130.4 144.69 54.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.692 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -75.07 108.22 2.66 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.553 1.817 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.477 ' HB2' ' HA ' ' A' ' 49' ' ' PHE . . . -133.21 158.97 41.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.599 ' HG3' HD22 ' A' ' 15' ' ' LEU . 38.6 ttp180 -102.25 160.37 14.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.585 ' CD1' ' CE1' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -88.24 149.8 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -158.01 150.17 22.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.76 148.1 25.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.71 113.52 23.63 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 111.002 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.88 12.02 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.431 1.753 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -139.26 29.68 2.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.337 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.19 -57.11 2.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.235 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.28 -52.62 45.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 m -139.09 177.06 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.7 128.91 42.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.1 p -104.57 176.95 4.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.937 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.9 p -120.07 -178.72 3.73 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.521 1.138 . . . . 0.0 110.348 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -93.19 179.75 5.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.093 . . . . 0.0 109.227 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.476 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 3.1 p-10 40.46 67.33 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.41 141.53 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.367 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.585 ' CE1' ' CD1' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -125.68 150.0 48.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.947 -179.896 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 31' ' ' ASP . 24.5 tt0 -97.36 133.97 41.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.796 HG11 HD12 ' A' ' 58' ' ' LEU . 1.3 t -126.74 134.2 66.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.555 ' CE1' ' HB ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -108.25 104.35 13.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.477 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 2.6 m-85 -74.45 115.69 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.504 ' HE2' HD21 ' A' ' 15' ' ' LEU . 3.0 m-85 -80.8 -9.82 59.78 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.579 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . -76.2 -57.06 4.12 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.557 1.161 . . . . 0.0 110.963 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 57.6 p -86.54 -14.77 42.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.43 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.8 t60 74.29 37.44 0.59 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.632 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -141.52 160.13 40.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.555 ' HB ' ' CE1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -107.31 135.4 48.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.499 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.97 162.45 30.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.505 ' CG ' ' O ' ' A' ' 57' ' ' PHE . 6.4 p90 -81.36 126.57 31.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.179 . . . . 0.0 111.069 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.829 HD22 ' CG ' ' A' ' 62' ' ' ASP . 87.7 mt -152.2 178.23 9.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.355 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.88 -154.7 8.35 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.391 1.057 . . . . 0.0 111.032 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -41.13 0.7 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.382 1.727 . . . . 0.0 111.02 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.3 tptt -57.94 -48.47 79.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.829 ' CG ' HD22 ' A' ' 58' ' ' LEU . 11.8 m-20 -56.13 -30.72 62.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.603 1.189 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.81 ' CD1' ' HB2' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -91.62 117.58 29.86 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.422 ' HB2' ' NE2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -123.45 137.61 28.78 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.972 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.545 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 18.2 Cg_endo -75.04 169.86 21.68 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.45 1.763 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.523 ' CZ ' ' HD2' ' A' ' 70' ' ' LYS . 6.0 t80 -73.26 -36.19 66.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.7 -48.7 74.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.157 . . . . 0.0 110.321 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.25 -48.13 37.38 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.576 1.172 . . . . 0.0 110.334 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 74' ' ' GLY . 3.2 t -52.07 -51.4 57.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.523 ' HD2' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -65.64 -27.16 68.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -56.31 -41.49 76.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.612 ' HG3' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -102.93 -59.59 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.239 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.612 ' CD2' ' HG3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -127.71 -76.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 82.44 -3.32 82.48 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.65 97.66 15.57 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.763 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.445 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.2 Cg_endo -75.07 175.33 11.39 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.478 1.778 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.659 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 5.2 m-20 -48.91 118.95 2.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.589 ' HG3' ' CE1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -72.9 75.85 1.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.085 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.422 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 7.4 mmm180 -96.49 -176.01 3.5 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.41 1.068 . . . . 0.0 110.346 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -64.77 -73.73 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.599 1.187 . . . . 0.0 109.352 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.02 -17.91 4.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.659 ' CD2' ' O ' ' A' ' 77' ' ' ASN . 0.1 OUTLIER -74.01 -35.2 64.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 110.972 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.647 ' O ' HD13 ' A' ' 86' ' ' LEU . 3.7 t -76.47 -57.68 3.72 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 5.3 pt-20 -65.54 -10.22 33.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.556 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -82.76 -64.37 1.68 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.105 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.825 ' C ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.7 -22.99 58.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.677 ' N ' HD13 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -87.53 -28.15 22.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 107.988 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 0.5 OUTLIER -67.11 -23.43 65.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.367 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.796 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -99.26 -43.99 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.658 ' N ' HD13 ' A' ' 89' ' ' ILE . 18.6 mt-10 -70.67 -32.77 70.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -133.3 67.59 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.238 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.17 131.34 92.11 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 -41.16 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.427 1.751 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.465 ' O ' HG22 ' A' ' 94' ' ' THR . 3.0 m -131.85 76.31 1.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 110.415 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.3 p -59.47 121.1 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.401 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.25 -33.39 13.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.78 87.25 3.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.2 p -137.83 157.54 46.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.944 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -152.1 -120.73 0.88 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.432 1.083 . . . . 0.0 111.061 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.612 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.768 . . . . 0.0 110.945 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.504 0.193 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.0 p -140.68 151.97 44.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.061 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -99.3 133.97 42.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.1 p -114.25 169.7 8.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.583 1.177 . . . . 0.0 110.018 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 6' ' ' ARG . 1.6 p-10 -86.2 172.29 10.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.488 ' HB2' ' CG ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -62.57 -176.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.327 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.417 ' CG ' ' HD3' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -109.98 -40.6 4.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -140.12 -40.2 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.488 ' CG ' ' HB2' ' A' ' 6' ' ' ARG . 10.4 pt-20 -60.19 80.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 110.252 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.594 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -76.59 139.31 40.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 0.0 111.004 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -150.09 179.01 8.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.427 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 1.7 t -41.63 130.09 3.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 108.274 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.95 -14.37 34.22 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.417 1.073 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.8 144.87 25.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.74 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.895 HD22 ' N ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -118.15 140.32 49.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.895 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -155.24 178.76 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.632 ' N ' HG13 ' A' ' 16' ' ' VAL . 47.3 m-85 -91.69 115.28 27.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.772 ' HB2' ' CD2' ' A' ' 63' ' ' LEU . . . -107.09 128.47 54.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.555 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -117.94 143.5 46.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -128.48 160.2 33.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -56.87 119.41 6.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.31 -20.0 43.43 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.407 1.067 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.406 ' O ' ' O ' ' A' ' 20' ' ' MET . 6.1 t80 -112.82 132.14 22.43 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.564 0.803 . . . . 0.0 111.083 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.591 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.1 Cg_endo -75.0 156.96 43.01 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.37 1.721 . . . . 0.0 111.001 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.555 ' CD2' ' HB3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -42.91 111.54 0.27 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.595 1.185 . . . . 0.0 109.582 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.624 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -115.45 158.01 42.63 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.49 1.119 . . . . 0.0 107.99 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.452 ' HB2' HG21 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -74.97 103.13 1.68 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.483 1.781 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.646 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -122.86 147.46 46.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.432 1.082 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.563 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 2.7 ttt180 -94.25 160.25 14.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.361 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.763 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -89.86 144.09 9.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.617 ' H ' HD13 ' A' ' 30' ' ' ILE . 3.1 m-20 -155.85 149.51 25.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -105.96 153.69 21.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.209 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.92 116.67 54.44 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.147 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 158.67 41.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -134.35 42.34 2.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.45 -70.59 0.73 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.51 1.131 . . . . 0.0 109.228 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.37 -40.0 70.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.372 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.3 m -143.21 176.45 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.42 1.075 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.05 133.85 51.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.38 170.98 14.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 p -111.27 171.25 7.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.447 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . -104.01 121.89 44.11 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.564 1.165 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 5.9 m120 -163.49 -43.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.46 178.02 5.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.763 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -119.66 152.43 37.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.604 1.19 . . . . 0.0 111.046 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.413 ' O ' ' O ' ' A' ' 31' ' ' ASP . 17.1 tt0 -89.73 139.53 30.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.414 ' CG2' HD11 ' A' ' 63' ' ' LEU . 1.4 t -131.7 137.57 54.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.605 1.191 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.577 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -113.7 109.57 18.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.638 1.211 . . . . 0.0 110.953 -179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 53' ' ' HIS . 12.7 m-85 -78.93 117.47 20.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 29' ' ' ARG . 44.8 m-85 -71.54 -58.62 3.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.6 -56.44 2.48 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.403 ' CG2' ' OH ' ' A' ' 23' ' ' TYR . 59.7 p -81.72 -31.19 32.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.388 0.699 . . . . 0.0 110.409 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.2 OUTLIER 74.82 38.0 0.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.64 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -130.7 147.7 52.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 110.367 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.577 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 1.1 m -96.04 115.87 28.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.162 . . . . 0.0 110.4 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -121.17 156.28 32.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.353 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.492 ' O ' ' CG ' ' A' ' 57' ' ' PHE . 9.1 p90 -83.59 126.82 33.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.613 1.196 . . . . 0.0 111.039 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.948 HD22 ' CG ' ' A' ' 62' ' ' ASP . 47.1 mt -150.27 177.53 9.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.075 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.86 -159.67 9.48 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.158 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.4 Cg_endo -74.94 -28.82 8.95 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.557 1.82 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 62' ' ' ASP . 47.6 pttt -69.1 -46.07 68.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.148 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.948 ' CG ' HD22 ' A' ' 58' ' ' LEU . 1.4 m-20 -71.35 -6.95 43.87 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.772 ' CD2' ' HB2' ' A' ' 18' ' ' ALA . 13.8 mt -112.52 141.23 46.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.238 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.72 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -140.27 140.33 23.07 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.388 1.055 . . . . 0.0 110.96 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.488 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 18.4 Cg_endo -75.04 170.55 20.16 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.79 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -79.04 -37.78 38.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -53.15 -50.63 64.17 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -48.1 65.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -56.55 -52.63 64.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.971 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -16.1 63.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.611 1.195 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -56.63 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.607 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -98.36 -66.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.347 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.607 ' CZ ' ' HG2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -132.25 -81.89 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.924 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.417 ' HA3' ' CB ' ' A' ' 69' ' ' SER . . . 70.78 8.59 64.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.414 1.071 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.5 94.17 30.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.464 0.743 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.4 ' HG3' ' O ' ' A' ' 25' ' ' HIS . 18.2 Cg_endo -75.03 174.81 12.15 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.401 1.737 . . . . 0.0 110.956 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.583 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 3.2 m120 -50.05 139.67 13.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.589 ' CD ' ' CE1' ' A' ' 82' ' ' PHE . 1.6 tppt? -92.35 87.9 6.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.462 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 21.3 mmt180 -99.83 -176.21 3.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.413 1.071 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -43.17 78.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.359 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -75.21 -10.3 84.27 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.59 1.181 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.624 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 3.3 t80 -80.91 -42.68 21.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 111.062 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.1 p -75.2 -55.98 5.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.351 1.032 . . . . 0.0 109.974 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -61.22 -31.04 70.82 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.522 1.139 . . . . 0.0 110.219 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.661 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -72.11 -63.49 2.96 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.407 1.067 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.795 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -44.81 -26.21 0.38 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 0.748 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.838 ' CD1' ' ND2' ' A' ' 91' ' ' ASN . 12.1 t-105 -88.62 -43.03 11.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 108.025 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' GLY . 1.6 tm-20 -51.19 -20.85 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.829 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -100.64 -36.88 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.62 ' N ' HD13 ' A' ' 89' ' ' ILE . 1.5 mt-10 -70.13 -9.78 56.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.838 ' ND2' ' CD1' ' A' ' 87' ' ' TRP . 0.1 OUTLIER -125.75 47.76 2.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.456 HD21 HG23 ' A' ' 95' ' ' VAL . 9.8 p30 -58.05 155.28 25.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -39.26 1.26 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.49 1.784 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 94' ' ' THR . 9.7 t -116.97 87.92 2.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 110.352 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.456 HG23 HD21 ' A' ' 92' ' ' ASN . 12.4 p -87.46 137.72 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.163 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 97' ' ' ALA . 1.8 pttp -112.17 -30.99 7.01 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.431 ' N ' ' HG3' ' A' ' 96' ' ' LYS . . . -84.16 85.97 7.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.383 1.052 . . . . 0.0 109.238 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.3 p -54.12 151.04 7.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 110.064 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 170.34 -60.67 0.18 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.619 1.2 . . . . 0.0 111.092 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.614 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.523 0.778 . . . . 0.0 111.059 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.551 0.215 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.79 129.72 14.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.37 161.59 18.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 110.365 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.0 p -113.37 156.92 22.57 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.495 1.122 . . . . 0.0 110.075 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -81.1 174.87 11.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.536 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -114.76 -178.41 3.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.593 1.183 . . . . 0.0 110.343 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.486 ' HG2' ' CD ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -109.78 -42.73 4.19 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.486 ' CD ' ' HG2' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -141.67 -40.4 0.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.254 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.536 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -69.0 116.53 9.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 110.321 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.46 168.64 13.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.66 159.93 43.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.5 t -45.22 128.49 7.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 108.233 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.44 -20.33 40.07 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.406 1.066 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.461 ' OD1' ' NE ' ' A' ' 6' ' ' ARG . 16.1 t0 -55.86 168.93 0.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.736 HD13 ' O ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -136.1 129.95 32.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.325 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.931 HG22 ' O ' ' A' ' 64' ' ' PHE . 0.3 OUTLIER -151.41 177.53 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.58 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -92.48 114.36 26.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.981 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.658 ' HB2' HD21 ' A' ' 63' ' ' LEU . . . -98.21 144.88 27.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HD3' ' CG ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -123.57 138.23 54.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.367 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.441 ' O ' ' O ' ' A' ' 23' ' ' TYR . 1.4 ttt -131.44 151.69 51.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.586 1.179 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.62 123.6 14.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.579 1.175 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.49 -20.36 27.45 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.496 1.122 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.635 ' CE2' ' CD2' ' A' ' 26' ' ' TRP . 2.0 t80 -112.02 133.15 21.72 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.754 . . . . 0.0 111.042 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.2 Cg_endo -75.04 175.94 10.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.543 1.812 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -51.11 111.18 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.649 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.663 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -118.77 142.46 31.79 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.516 1.135 . . . . 0.0 108.065 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.663 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.1 Cg_endo -75.06 112.02 3.46 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.736 ' O ' HD13 ' A' ' 15' ' ' LEU . . . -125.62 158.03 35.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -98.96 139.98 33.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.342 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.748 HD13 ' H ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -74.98 148.95 7.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 124.634 1.209 . . . . 0.0 109.255 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.748 ' H ' HD13 ' A' ' 30' ' ' ILE . 2.6 m-20 -160.07 153.13 21.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 109.344 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.69 159.53 14.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.23 113.52 22.82 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 110.977 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 172.45 16.34 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.429 1.752 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -144.08 36.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 110.195 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.07 -66.36 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.02 -44.9 87.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.408 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.2 m -143.02 177.07 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.36 129.58 54.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.61 171.82 13.93 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.519 1.137 . . . . 0.0 110.071 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.3 p -115.3 177.3 4.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.46 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.51 130.91 49.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 p30 170.35 -33.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.1 170.91 9.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.47 142.1 47.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.485 ' HG3' ' CG2' ' A' ' 55' ' ' THR . 30.4 tt0 -90.73 114.49 26.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.253 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.7 t -107.26 149.19 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.375 1.047 . . . . 0.0 109.358 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.77 101.8 7.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.441 ' HE1' HD12 ' A' ' 58' ' ' LEU . 3.5 m-30 -70.9 125.14 26.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 111.068 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CE2' ' HB ' ' A' ' 89' ' ' ILE . 15.5 m-85 -74.97 -44.59 47.48 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.454 1.096 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.453 ' HA3' ' NE1' ' A' ' 26' ' ' TRP . . . -47.36 -56.86 7.72 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.44 1.088 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.0 p -85.91 -28.03 24.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 0.799 . . . . 0.0 110.39 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 74.44 38.95 0.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 109.58 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -131.3 155.15 47.68 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.588 1.18 . . . . 0.0 110.346 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.485 ' CG2' ' HG3' ' A' ' 46' ' ' GLN . 1.3 m -94.71 112.75 24.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.37 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.5 137.38 51.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.399 1.062 . . . . 0.0 109.234 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.628 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 44.1 p90 -69.56 108.82 3.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 111.04 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.441 HD12 ' HE1' ' A' ' 49' ' ' PHE . 60.1 mt -132.19 177.54 7.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.82 -160.27 9.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' A' ' 63' ' ' LEU . 17.9 Cg_endo -75.09 -44.63 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.534 1.807 . . . . 0.0 110.976 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -47.1 81.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.64 -19.97 65.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.179 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.823 HD22 ' CG1' ' A' ' 16' ' ' VAL . 15.7 mt -99.34 144.7 28.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.931 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -138.02 143.33 39.18 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 111.048 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 64' ' ' PHE . 18.5 Cg_endo -74.95 167.1 27.82 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.553 ' CE1' ' HG2' ' A' ' 70' ' ' LYS . 1.9 t80 -83.03 -36.33 25.06 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.569 1.168 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -50.63 63.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -63.79 -47.83 79.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.347 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.474 ' CB ' ' HA3' ' A' ' 74' ' ' GLY . 0.9 OUTLIER -60.31 -49.26 78.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.405 1.066 . . . . 0.0 109.978 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.553 ' HG2' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -70.42 -8.81 53.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.45 -46.62 26.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.232 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt -106.03 -68.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 69' ' ' SER . 9.1 m-85 -132.81 -81.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 111.05 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.474 ' HA3' ' CB ' ' A' ' 69' ' ' SER . . . 67.41 26.95 73.49 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.83 90.82 41.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 0.759 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.405 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.3 Cg_endo -74.86 175.24 11.46 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.576 1.829 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.623 ' O ' ' CE2' ' A' ' 82' ' ' PHE . 29.4 m-80 -49.8 172.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -129.57 90.39 2.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -102.01 -176.12 3.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -69.64 -55.34 10.31 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.2 -7.16 43.32 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.51 1.132 . . . . 0.0 111.048 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.623 ' CE2' ' O ' ' A' ' 77' ' ' ASN . 7.0 t80 -83.65 -47.94 10.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 0.737 . . . . 0.0 111.063 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.19 -53.83 43.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.024 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 88' ' ' GLU . 4.8 pt-20 -63.02 -30.76 71.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 110.247 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.446 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -65.56 -60.84 6.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.78 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -55.84 -28.12 54.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.763 . . . . 0.0 109.28 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.564 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -84.36 -23.95 29.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 108.006 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 84' ' ' GLU . 3.9 mm-40 -70.7 -23.05 62.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.247 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.572 ' HB ' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -100.0 -45.23 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.435 ' N ' HD13 ' A' ' 89' ' ' ILE . 12.6 mt-10 -74.61 -27.48 60.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.402 1.064 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.564 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.2 m120 -134.01 58.98 1.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.404 1.065 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 95' ' ' VAL . 7.9 p30 -60.88 159.45 26.66 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.228 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -46.97 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.568 1.825 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 94' ' ' THR . 12.7 t -108.21 86.23 2.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.417 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.472 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 13.6 p -89.59 135.85 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 97' ' ' ALA . 0.1 OUTLIER -111.67 -31.52 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 109.328 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.437 ' N ' ' HG3' ' A' ' 96' ' ' LYS . . . -61.61 143.24 56.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.165 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.65 162.71 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -159.18 -58.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.43 1.082 . . . . 0.0 110.965 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.619 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.536 0.786 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.496 0.188 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 p -144.52 148.17 34.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.21 122.22 29.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.8 p -114.12 168.33 9.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.597 1.185 . . . . 0.0 110.043 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -57.34 170.53 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.519 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -73.52 -178.49 3.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -113.26 -41.73 3.64 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.63 -38.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.519 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 5.0 pt-20 -75.87 117.21 17.36 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.428 1.08 . . . . 0.0 110.337 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.575 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 6.1 p90 -136.25 120.07 17.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -136.68 -179.43 5.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.181 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.432 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -41.07 142.82 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 108.275 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.52 2.45 76.27 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.568 1.168 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.45 ' OD1' ' NE ' ' A' ' 6' ' ' ARG . 1.5 t70 -102.44 127.98 49.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 0.776 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.017 HD22 ' N ' ' A' ' 16' ' ' VAL . 0.2 OUTLIER -108.72 132.06 54.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.017 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -150.27 179.89 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.228 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.466 ' O ' HD13 ' A' ' 63' ' ' LEU . 1.5 m-85 -91.31 121.2 32.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.421 1.075 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.559 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . . . -127.14 141.49 51.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.217 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.56 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -113.17 158.31 20.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.369 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.418 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -130.29 159.1 37.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.32 118.65 5.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.96 -17.92 43.2 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.562 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 2.7 t80 -110.73 137.25 20.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.574 0.808 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.588 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.1 Cg_endo -75.07 156.86 42.72 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.402 1.738 . . . . 0.0 110.973 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.56 ' CD2' ' HB3' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -42.4 111.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.574 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.595 ' CZ2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -116.7 157.1 46.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 107.989 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.599 ' HB2' HG21 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.95 103.82 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.429 1.752 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.559 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -121.86 142.81 49.87 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.458 1.099 . . . . 0.0 109.239 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.3 ttp85 -98.85 140.51 32.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.339 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.432 ' CG2' ' HA ' ' A' ' 12' ' ' CYS . 0.2 OUTLIER -63.26 145.82 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -158.64 145.79 17.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -95.49 158.72 15.33 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.97 113.48 23.62 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 133.22 16.41 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.56 1.821 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -100.8 38.23 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.32 -56.55 2.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.11 -42.34 80.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 m -143.24 171.97 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.29 64.51 0.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.347 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.17 177.8 0.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.574 1.171 . . . . 0.0 109.966 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 42' ' ' ALA . 28.5 m -113.63 171.37 7.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.43 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.427 ' H ' HG22 ' A' ' 41' ' ' THR . . . -103.65 127.75 51.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.6 p30 167.25 -32.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.96 173.02 7.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.902 ' OH ' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -118.8 134.97 54.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.504 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 33.7 tt0 -75.05 115.37 14.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.902 HG23 ' OH ' ' A' ' 45' ' ' TYR . 14.6 p -94.78 136.95 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.448 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -113.94 97.73 6.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.041 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -78.92 122.01 25.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 6.8 m-85 -79.69 -56.53 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -40.13 -55.79 2.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.5 p -78.75 -28.96 44.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 0.804 . . . . 0.0 110.373 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 74.31 37.48 0.58 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.54 1.15 . . . . 0.0 109.582 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -137.49 163.86 30.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.559 1.162 . . . . 0.0 110.247 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.448 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -105.24 159.44 15.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.471 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.563 ' C ' HG12 ' A' ' 47' ' ' VAL . . . -155.61 -179.12 7.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -119.83 101.3 7.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.46 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 50.3 mt -129.02 179.64 5.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.2 -167.78 12.78 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -18.62 18.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 0.0 110.997 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -72.66 -25.46 61.28 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -97.28 2.15 50.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.649 HD23 ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -111.24 137.82 48.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.508 ' CZ ' ' HG2' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -140.14 131.67 14.38 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.489 1.118 . . . . 0.0 110.922 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 169.8 21.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.547 1.814 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -63.66 -36.2 83.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -62.27 -50.65 70.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.261 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.508 ' HG2' ' CZ ' ' A' ' 64' ' ' PHE . 0.6 OUTLIER -68.26 -49.14 62.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.528 ' O ' ' N ' ' A' ' 74' ' ' GLY . 1.4 p -55.76 -53.39 57.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.944 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -18.83 64.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 9.5 tt0 -62.88 -49.97 72.75 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 110.257 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.59 -68.6 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.535 ' CG ' ' N ' ' A' ' 74' ' ' GLY . 4.6 p90 -133.89 -52.92 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.535 ' N ' ' CG ' ' A' ' 73' ' ' PHE . . . 60.5 9.55 13.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.438 1.086 . . . . 0.0 111.039 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -133.83 94.27 19.13 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.54 0.788 . . . . 0.0 109.3 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.402 ' HG3' ' O ' ' A' ' 25' ' ' HIS . 18.1 Cg_endo -75.08 174.88 12.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.463 1.77 . . . . 0.0 110.945 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.497 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 4.8 m120 -49.06 129.65 17.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.437 ' HG2' ' CE1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -83.1 89.04 6.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.511 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 20.9 mmt85 -100.89 -175.25 2.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.38 -48.27 65.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.33 -7.19 67.32 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.578 1.174 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.595 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 2.2 t80 -82.34 -47.71 12.02 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.554 0.797 . . . . 0.0 111.064 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.4 OUTLIER -66.29 -53.66 34.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.921 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -70.4 -26.65 63.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.568 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -70.47 -55.14 9.04 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.805 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -60.01 -27.62 67.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.572 0.807 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.57 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -86.28 -21.72 27.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 108.006 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.59 -24.57 61.11 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.426 1.079 . . . . 0.0 110.277 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.799 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -98.67 -42.54 11.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.429 1.081 . . . . 0.0 109.244 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.601 ' N ' HD13 ' A' ' 89' ' ' ILE . 3.3 mt-10 -76.99 -29.5 55.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.272 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.527 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.7 m120 -133.26 71.59 1.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.469 ' HB2' ' CG2' ' A' ' 95' ' ' VAL . 27.4 p30 -62.95 152.6 83.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -54.84 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.632 ' O ' HG22 ' A' ' 94' ' ' THR . 15.3 m -149.8 48.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.418 1.074 . . . . 0.0 110.411 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 92' ' ' ASN . 93.5 t -94.41 134.92 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 97' ' ' ALA . 15.2 pttt -115.2 -35.79 4.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.178 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.435 ' N ' ' HG3' ' A' ' 96' ' ' LYS . . . -78.1 83.83 4.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.2 m -125.48 177.72 6.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.104 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -172.49 129.04 1.64 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.658 ' N ' ' CD1' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.527 0.78 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.456 0.17 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.36 152.29 26.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.133 . . . . 0.0 110.014 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -81.45 167.86 18.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.353 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.7 112.46 25.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 6' ' ' ARG . 15.7 p-10 -117.59 -171.83 2.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.465 ' HB2' ' CG ' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -90.86 -177.42 4.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.416 1.073 . . . . 0.0 110.278 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.459 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -96.64 -79.08 0.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 110.276 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.4 ' HD3' ' C ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -119.35 -8.41 10.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.465 ' CG ' ' HB2' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -73.95 175.04 7.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.39 1.057 . . . . 0.0 110.282 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.416 ' C ' ' OE2' ' A' ' 9' ' ' GLU . 7.0 p90 -147.09 129.25 15.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 111.059 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.88 176.4 8.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.7 t -43.48 134.15 4.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 108.257 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.54 -3.03 78.39 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.587 1.179 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.406 ' OD2' ' NE ' ' A' ' 6' ' ' ARG . 6.8 t70 -81.97 140.6 33.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.786 HD22 ' H ' ' A' ' 16' ' ' VAL . 1.5 tm? -109.63 142.16 41.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.823 HG23 HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -162.27 177.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.579 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 23.7 m-85 -93.06 112.04 23.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.617 ' HB2' HD21 ' A' ' 63' ' ' LEU . . . -98.94 132.06 44.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 8.2 tttt -108.68 145.04 35.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.447 ' O ' ' O ' ' A' ' 23' ' ' TYR . 2.4 ttt -129.36 153.74 47.58 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.619 1.199 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -56.22 121.92 10.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.46 -19.97 29.39 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.562 ' CE2' ' CD2' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -111.28 134.59 21.08 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.593 0.819 . . . . 0.0 111.024 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.407 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 18.0 Cg_endo -74.96 169.65 22.16 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 110.973 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.579 ' CD2' ' HB3' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -44.64 116.17 1.01 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.623 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.72 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.6 OUTLIER -120.43 145.22 40.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.72 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -74.99 108.84 2.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.452 1.764 . . . . 0.0 110.977 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.595 ' O ' HD22 ' A' ' 15' ' ' LEU . . . -129.88 162.44 28.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.499 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 12.1 ptm180 -103.91 156.46 17.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.66 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -82.54 149.69 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.45 ' H ' HD13 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -156.67 150.67 24.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -99.15 152.69 19.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.71 114.08 30.78 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 175.11 11.66 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.513 1.796 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -144.57 31.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.36 -71.43 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.365 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.46 -50.45 67.69 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.564 HG22 ' N ' ' A' ' 39' ' ' LYS . 9.0 p -143.02 170.57 10.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.564 ' N ' HG22 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -109.03 96.59 6.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.89 -176.06 1.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.063 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.9 p -120.03 124.16 45.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.388 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 43' ' ' ASN . . . -49.32 175.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 42' ' ' ALA . 4.5 m120 80.48 38.15 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.76 160.32 4.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.66 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -125.88 151.97 46.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 111.017 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.482 ' HG3' HG23 ' A' ' 55' ' ' THR . 36.5 tt0 -92.1 129.13 38.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 110.249 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.53 HG22 HD11 ' A' ' 63' ' ' LEU . 1.3 t -126.22 135.14 64.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.379 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.599 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.0 OUTLIER -112.33 105.53 13.84 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.606 1.191 . . . . 0.0 110.957 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.51 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 3.8 m-85 -76.0 118.94 19.29 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.499 ' CE2' ' HB3' ' A' ' 29' ' ' ARG . 51.8 m-85 -71.29 -34.28 70.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.599 1.187 . . . . 0.0 111.073 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.436 ' HA3' ' NE1' ' A' ' 26' ' ' TRP . . . -57.31 -56.94 22.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 42.7 p -87.23 -20.18 27.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 49' ' ' PHE . 27.6 t-80 67.98 40.35 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.621 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.18 158.53 43.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.577 1.173 . . . . 0.0 110.338 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.599 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 1.8 m -99.08 115.81 29.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.464 1.102 . . . . 0.0 110.483 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.94 141.72 47.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -75.42 107.64 7.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.855 HD22 ' CG ' ' A' ' 62' ' ' ASP . 23.3 mt -137.96 172.22 13.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.4 1.062 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.04 -157.7 9.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.445 1.09 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -28.2 9.25 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.554 1.818 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -72.21 -18.07 61.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.855 ' CG ' HD22 ' A' ' 58' ' ' LEU . 1.5 m-20 -105.2 10.79 33.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.226 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.823 HD22 HG23 ' A' ' 16' ' ' VAL . 6.8 mt -135.85 118.58 16.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 0.1 OUTLIER -114.84 146.84 36.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 111.05 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.52 ' HA ' HG12 ' A' ' 16' ' ' VAL . 18.4 Cg_endo -74.97 171.05 19.07 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.388 1.73 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -82.12 -42.1 19.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.18 -51.07 57.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -44.6 80.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.262 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -56.68 -51.55 68.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 110.042 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.463 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -70.54 -12.05 61.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -68.95 -49.69 55.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.14 -67.51 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' SER . 1.3 m-85 -132.37 -82.77 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.03 8.84 79.31 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.573 1.17 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -115.7 96.33 46.13 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.426 0.721 . . . . 0.0 109.265 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 174.71 12.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 110.998 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.634 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 5.0 m120 -49.44 147.44 3.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.43 85.3 6.13 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.399 1.062 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.9 mmt-85 -99.53 -176.56 3.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.163 . . . . 0.0 110.339 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -69.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -53.86 -17.4 7.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.13 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.634 ' CD2' ' O ' ' A' ' 77' ' ' ASN . 0.6 OUTLIER -75.54 -38.6 59.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 110.993 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.7 -58.29 3.8 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.451 1.094 . . . . 0.0 109.918 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -65.73 -30.31 70.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.428 1.08 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.504 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -67.73 -56.53 10.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.558 1.161 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.802 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.38 -28.79 65.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 0.75 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.598 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -85.39 -21.98 28.59 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -72.04 -24.52 61.55 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.53 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -97.69 -43.58 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 109.36 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.414 ' N ' HD13 ' A' ' 89' ' ' ILE . 3.0 mm-40 -75.09 -27.41 59.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.264 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.54 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.1 m120 -134.63 69.81 1.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -83.44 149.85 58.84 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.612 1.195 . . . . 0.0 109.39 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.09 -24.41 12.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.426 1.75 . . . . 0.0 110.987 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.7 m -121.92 86.54 2.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.362 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.739 HG22 ' H ' ' A' ' 96' ' ' LYS . 2.7 p -94.51 -174.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.739 ' H ' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -175.98 -43.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.43 97.81 7.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.4 p -174.65 174.17 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.613 1.195 . . . . 0.0 110.076 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 156.35 -112.5 0.53 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.649 ' N ' ' CD1' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.766 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 120.549 0.214 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -105.08 162.27 13.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.949 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.82 147.38 35.24 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.32 149.74 35.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.417 1.073 . . . . 0.0 109.977 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -109.29 175.84 5.31 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.506 ' CZ ' ' OD1' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -79.84 -178.46 6.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.38 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.446 ' CG ' ' HD3' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -108.95 -41.95 4.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.446 ' HD3' ' CG ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -141.45 -39.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 109.258 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 9.7 pt-20 -61.53 100.72 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.419 1.074 . . . . 0.0 110.27 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.482 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 7.7 p90 -119.86 129.29 54.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.6 178.82 6.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.4 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 15.3 t -45.67 142.76 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 108.337 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.61 2.24 76.34 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.454 1.096 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.506 ' OD1' ' CZ ' ' A' ' 6' ' ' ARG . 7.0 t70 -96.24 146.89 24.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 0.746 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.945 HD12 ' N ' ' A' ' 16' ' ' VAL . 3.7 tp -122.6 140.81 52.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.945 ' N ' HD12 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -161.46 -179.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.68 ' N ' HG13 ' A' ' 16' ' ' VAL . 85.3 m-85 -89.53 119.56 30.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.497 1.123 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.509 ' HA ' HD12 ' A' ' 63' ' ' LEU . . . -97.61 155.47 16.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -144.74 124.89 13.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 109.223 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.842 ' SD ' HD21 ' A' ' 58' ' ' LEU . 16.3 ttp -135.51 166.57 22.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.049 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -55.38 135.06 50.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.82 10.58 19.71 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 111.055 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CE1' ' HB2' ' A' ' 26' ' ' TRP . 14.6 t80 -128.51 115.82 19.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.512 0.772 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.579 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.6 Cg_endo -74.96 157.12 43.13 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.471 ' O ' ' CG ' ' A' ' 76' ' ' PRO . 0.0 OUTLIER -47.41 117.48 1.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.543 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.593 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -134.66 159.32 72.65 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.591 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -74.94 101.51 1.47 Allowed 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.52 1.8 . . . . 0.0 111.011 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.76 139.63 51.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -95.77 139.21 32.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.604 HD11 ' CG ' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -65.74 147.65 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.78 146.04 25.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -89.92 152.72 21.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.83 119.16 74.73 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 171.04 19.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.431 1.753 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -145.32 30.1 1.14 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.51 -60.44 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.47 -59.41 5.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.358 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.7 m -131.84 177.15 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.05 125.31 50.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.16 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.87 171.4 8.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 110.018 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.9 p -97.39 128.06 43.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.421 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.406 ' O ' ' CB ' ' A' ' 43' ' ' ASN . . . -78.29 124.96 28.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.117 . . . . 0.0 109.266 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 42' ' ' ALA . 5.5 p30 163.34 -29.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.58 177.53 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.604 ' CG ' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -122.6 147.35 46.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.357 1.035 . . . . 0.0 110.957 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -94.66 128.98 41.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.345 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.671 HG11 HD12 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -102.45 145.11 12.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.478 ' CZ ' ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -132.67 101.44 5.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 111.154 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.482 ' CZ ' ' CG1' ' A' ' 47' ' ' VAL . 3.7 m-85 -75.21 124.9 27.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.973 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.435 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 2.9 m-85 -78.42 -59.91 2.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.08 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -38.91 -56.3 2.16 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.084 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.8 p -80.85 -30.1 35.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.425 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 74.27 38.69 0.52 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 109.538 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -118.77 169.91 9.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.478 ' OG1' ' CZ ' ' A' ' 48' ' ' PHE . 24.9 m -134.81 146.83 49.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.442 1.088 . . . . 0.0 110.446 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -157.96 -179.8 8.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.716 ' O ' HD23 ' A' ' 58' ' ' LEU . 46.7 p90 -106.31 124.57 49.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 110.966 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.842 HD21 ' SD ' ' A' ' 20' ' ' MET . 43.7 mt -146.4 178.91 7.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -120.77 -156.73 9.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.492 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.3 Cg_endo -75.1 -33.99 4.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.555 1.819 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -57.42 13.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.01 -30.19 14.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.599 ' HG ' HG12 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -91.34 141.67 28.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.401 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 2.5 m-85 -144.2 138.84 15.22 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 111.095 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.534 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 18.1 Cg_endo -75.03 173.98 13.57 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.465 1.771 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -70.65 -39.57 73.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -55.3 -51.74 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.235 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 71' ' ' GLU . 19.7 mt-10 -68.73 -47.65 65.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 74' ' ' GLY . 3.4 m -54.8 -51.88 64.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.081 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -18.56 65.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 0.3 OUTLIER -62.61 -57.33 11.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.192 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.502 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -77.06 -70.09 0.49 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.502 ' CD1' ' HB3' ' A' ' 72' ' ' LYS . 9.6 p90 -131.48 -54.3 1.02 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 68.42 1.35 21.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.89 94.3 28.8 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.529 0.782 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.471 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.6 Cg_endo -74.93 174.42 12.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.771 . . . . 0.0 111.048 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -48.94 111.3 0.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.583 1.177 . . . . 0.0 109.203 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -69.06 87.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.491 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 25.5 mmt180 -101.14 -175.93 3.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.374 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -67.19 -46.79 72.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.63 -8.97 49.74 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.491 ' HB3' ' O ' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -81.32 -53.43 6.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.992 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.431 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 5.4 t -63.4 -54.08 42.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.937 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 4.3 pt-20 -71.16 -15.12 62.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.562 1.164 . . . . 0.0 110.254 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.475 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -77.73 -61.02 2.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.792 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -57.83 -30.6 65.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.765 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.625 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -82.97 -20.92 34.27 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 2.0 mm-40 -72.56 -24.5 61.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.378 1.049 . . . . 0.0 110.33 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -99.52 -46.85 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.449 ' N ' HD13 ' A' ' 89' ' ' ILE . 42.1 mm-40 -71.15 -29.32 65.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.589 1.18 . . . . 0.0 110.362 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.53 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.3 m120 -133.94 66.86 1.53 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 92' ' ' ASN . 10.5 p-10 -79.3 155.64 76.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -30.41 7.24 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.571 1.827 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 63.4 m -119.06 91.44 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.453 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.664 HG22 ' H ' ' A' ' 96' ' ' LYS . 5.0 p -93.37 177.15 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.44 1.087 . . . . 0.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.664 ' H ' HG22 ' A' ' 95' ' ' VAL . 0.2 OUTLIER -175.4 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.227 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.454 ' HB2' ' NZ ' ' A' ' 96' ' ' LYS . . . -100.22 77.64 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.1 -55.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.59 1.181 . . . . 0.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.444 ' C ' ' CD1' ' A' ' 100' ' ' TYR . . . 131.92 162.46 10.44 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.552 1.157 . . . . 0.0 110.978 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.617 ' N ' ' CD1' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 111.006 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 mtm . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.453 0.168 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -126.54 106.84 9.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.062 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.18 148.63 22.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.394 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.3 p -95.87 116.66 29.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.031 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -113.01 165.13 12.64 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.458 1.099 . . . . 0.0 109.414 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.442 ' HB2' ' HB2' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -90.97 -179.57 5.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.416 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -108.87 -110.17 0.32 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.585 1.178 . . . . 0.0 110.287 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.447 ' HD3' ' C ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -83.63 11.65 6.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.442 ' HB2' ' HB2' ' A' ' 6' ' ' ARG . 1.2 mt-10 -53.26 122.54 9.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.545 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 3.6 p90 -147.53 124.16 11.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.19 175.21 10.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.442 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 2.0 t -45.05 123.02 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 108.301 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.28 8.5 46.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -101.23 134.7 43.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.659 HD21 ' HE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -97.36 137.12 36.82 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.451 1.094 . . . . 0.0 109.258 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -158.19 178.13 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.565 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -91.89 132.49 36.44 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.006 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -129.98 130.66 45.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.577 ' HB3' ' CG ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -117.64 152.12 35.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.417 ' O ' ' O ' ' A' ' 23' ' ' TYR . 8.4 ttt -132.2 156.22 46.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.79 119.48 6.26 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.31 -20.49 45.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.417 ' O ' ' O ' ' A' ' 20' ' ' MET . 4.3 t80 -114.05 135.92 22.14 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.441 0.73 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.458 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -75.0 155.17 42.88 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.524 1.802 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.577 ' CG ' ' HB3' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -41.13 116.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.598 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.603 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -120.03 158.29 50.68 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.481 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -75.03 107.32 2.46 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.545 1.813 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.713 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -124.14 156.28 36.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.386 1.054 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.439 ' CG ' ' HB3' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -107.84 148.06 30.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 110.32 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.755 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -71.24 144.51 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.206 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.584 ' H ' HD13 ' A' ' 30' ' ' ILE . 4.5 m-20 -151.47 145.53 25.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -89.91 160.81 16.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.234 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -82.9 121.1 77.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 156.07 43.17 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.549 1.815 . . . . 0.0 111.017 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -121.3 25.68 9.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.12 -77.97 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.83 -31.17 37.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -143.47 177.11 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.443 1.089 . . . . 0.0 109.208 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.481 ' CG ' ' N ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -74.67 -148.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.481 ' N ' ' CG ' ' A' ' 39' ' ' LYS . 34.9 p -145.13 130.72 18.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.044 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.4 m -117.06 167.22 11.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 110.352 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.459 ' O ' ' ND2' ' A' ' 43' ' ' ASN . . . -104.57 178.12 4.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER 38.97 56.73 1.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 1.073 . . . . 0.0 109.377 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.53 137.94 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.755 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -129.01 149.25 50.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.966 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.501 ' OE1' ' CG2' ' A' ' 55' ' ' THR . 0.0 OUTLIER -82.77 135.14 35.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.581 1.175 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.504 HG11 HD12 ' A' ' 58' ' ' LEU . 6.0 t -136.6 125.72 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.409 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.501 ' O ' ' HB1' ' A' ' 28' ' ' ALA . 6.4 t80 -105.79 133.94 49.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 110.963 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -97.88 126.94 43.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.659 ' HE2' HD21 ' A' ' 15' ' ' LEU . 9.5 m-85 -78.46 -60.17 2.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.624 1.203 . . . . 0.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -40.05 -55.23 2.94 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.0 p -80.23 -31.52 38.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.398 0.705 . . . . 0.0 110.47 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 73.29 39.71 0.58 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.574 1.171 . . . . 0.0 109.61 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -133.25 145.21 50.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.227 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.501 ' CG2' ' OE1' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -93.87 121.54 35.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.383 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.33 153.2 47.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.576 ' CG ' ' O ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -87.0 122.86 31.43 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.504 HD12 HG11 ' A' ' 47' ' ' VAL . 82.0 mt -140.87 177.71 7.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.189 . . . . 0.0 109.305 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -120.26 -160.83 11.31 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.3 Cg_endo -75.09 -34.75 3.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.443 1.76 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.84 -42.61 97.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.085 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.449 ' CG ' HD22 ' A' ' 58' ' ' LEU . 2.5 m-20 -64.46 -22.43 66.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.176 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.006 ' CD1' ' HB2' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -100.66 145.53 28.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.453 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -140.67 146.28 43.87 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.952 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.408 ' O ' ' HB3' ' A' ' 69' ' ' SER . 18.3 Cg_endo -75.03 158.38 42.11 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.454 1.765 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.573 ' CE2' ' HD2' ' A' ' 70' ' ' LYS . 8.0 t80 -79.53 -37.97 35.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -54.25 -51.28 65.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -68.85 -39.18 80.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.451 ' HB2' ' CA ' ' A' ' 74' ' ' GLY . 7.0 p -59.44 -51.04 71.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.573 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 1.8 pttm -71.05 -13.99 62.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -69.67 -44.25 70.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.359 1.037 . . . . 0.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -106.43 -68.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.388 1.055 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' SER . 0.6 OUTLIER -132.93 -77.33 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.404 1.065 . . . . 0.0 111.003 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.451 ' CA ' ' HB2' ' A' ' 69' ' ' SER . . . 61.84 26.36 66.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.23 94.17 24.21 Favored Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 124.457 0.739 . . . . 0.0 109.258 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 175.28 11.41 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.474 1.776 . . . . 0.0 110.99 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.587 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 4.3 m120 -49.09 141.3 8.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -92.94 90.27 6.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 19.9 mmt180 -100.95 -175.99 3.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -68.43 -44.87 74.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.249 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.48 -9.9 78.53 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.458 1.099 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.603 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 3.2 t80 -81.65 -44.02 17.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 0.801 . . . . 0.0 110.95 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.6 t -68.67 -56.22 8.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 109.951 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 4.6 pt-20 -69.42 -21.43 63.75 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.571 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -75.29 -58.2 4.02 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.831 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -57.4 -27.21 62.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.506 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -86.87 -23.38 25.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 108.019 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 1.1 mm-40 -70.36 -22.53 62.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.571 HG22 ' O ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -100.48 -44.4 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.381 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.49 ' N ' HD13 ' A' ' 89' ' ' ILE . 4.9 mm-40 -72.45 -30.44 64.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.243 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.506 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.4 m120 -133.88 69.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -68.38 149.31 98.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.223 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 -30.95 6.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 111.028 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.706 HG23 ' O ' ' A' ' 94' ' ' THR . 11.5 t -149.88 76.64 1.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 95' ' ' VAL . 14.1 p -45.03 107.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.594 1.184 . . . . 0.0 109.349 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -81.63 -32.68 31.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.451 ' O ' ' CB ' ' A' ' 98' ' ' SER . . . -145.81 151.51 38.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.196 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 97' ' ' ALA . 0.2 OUTLIER 82.44 177.21 0.08 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.379 1.05 . . . . 0.0 110.016 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 100' ' ' TYR . . . 161.67 145.27 4.26 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.606 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.463 0.743 . . . . 0.0 110.963 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.489 0.185 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 p -109.17 83.77 1.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.94 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -86.61 168.01 14.03 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.94 141.36 53.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.958 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -114.37 158.19 21.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.575 1.172 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.436 ' HG3' ' HB2' ' A' ' 9' ' ' GLU . 5.8 ptp180 -94.49 -179.87 5.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.243 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.415 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -105.7 -112.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.246 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.569 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -83.3 10.95 7.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.25 -179.922 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.436 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 3.6 mt-10 -54.4 135.52 45.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.569 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -147.85 161.71 40.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 110.975 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.53 159.81 44.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.3 p -43.71 130.28 5.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 108.313 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.24 7.26 60.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.43 1.081 . . . . 0.0 111.004 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -86.56 150.05 24.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.565 0.803 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.718 HD21 ' HE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -119.24 140.76 49.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.652 HG13 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -162.76 176.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.406 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -92.74 112.41 24.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.765 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -104.84 132.93 50.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 24' ' ' PRO . 12.8 tttt -114.17 141.49 47.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -127.51 156.62 41.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.61 120.26 7.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.86 -17.3 32.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.126 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.687 ' OH ' HG23 ' A' ' 52' ' ' THR . 4.1 t80 -106.94 129.05 24.94 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.523 0.778 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.451 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 18.4 Cg_endo -75.09 157.79 42.22 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.453 1.764 . . . . 0.0 111.053 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.47 ' O ' ' CG ' ' A' ' 76' ' ' PRO . 0.0 OUTLIER -39.42 118.4 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.665 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.624 ' CZ2' ' HB2' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -129.19 155.12 80.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 107.956 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.59 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -74.88 104.12 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.436 1.756 . . . . 0.0 111.071 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.669 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -119.73 149.55 41.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.439 ' HG2' ' N ' ' A' ' 30' ' ' ILE . 15.2 ttm180 -97.51 160.9 14.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.144 . . . . 0.0 110.36 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.471 HG12 ' CE1' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -81.12 142.45 13.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.551 ' OD2' ' CD2' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -152.1 149.29 28.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -104.11 147.89 26.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.217 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -73.59 131.23 82.59 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 111.077 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 170.77 19.69 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 111.078 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -124.29 28.96 6.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.25 -60.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.87 -44.9 94.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.5 m -136.73 177.07 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.54 117.28 34.35 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.607 1.192 . . . . 0.0 109.364 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.1 t -41.22 140.48 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.039 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.1 p -119.91 -171.52 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.349 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.411 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . -89.89 148.65 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.458 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 1.6 p-10 42.12 82.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.223 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.89 117.72 2.98 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.407 1.067 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 1.016 ' OH ' HG23 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -122.0 127.54 50.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 111.052 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.626 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 2.3 tt0 -80.17 133.34 36.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 1.016 HG23 ' OH ' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -122.31 136.44 59.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.551 ' CD2' ' OD2' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -110.64 99.23 8.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -73.78 124.85 26.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.105 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.718 ' HE2' HD21 ' A' ' 15' ' ' LEU . 18.6 m-85 -80.17 -54.0 6.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 111.022 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.51 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . -39.01 -56.15 2.23 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.491 1.119 . . . . 0.0 111.058 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.687 HG23 ' OH ' ' A' ' 23' ' ' TYR . 41.7 p -82.41 -26.99 32.28 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.459 0.741 . . . . 0.0 110.381 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.4 t60 73.57 38.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 109.674 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -138.66 161.41 37.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -94.37 164.55 12.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.418 1.073 . . . . 0.0 110.456 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.442 ' N ' ' CG2' ' A' ' 55' ' ' THR . . . -159.89 -179.86 8.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.559 ' O ' HD23 ' A' ' 58' ' ' LEU . 28.4 p90 -118.07 109.84 16.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 57' ' ' PHE . 83.8 mt -135.95 179.82 6.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.614 1.197 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.62 -157.17 9.84 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.515 1.134 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -41.52 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -58.72 -45.9 88.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.516 ' CG ' HD22 ' A' ' 58' ' ' LEU . 2.3 m-20 -59.32 -15.88 18.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.232 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.765 ' CD1' ' HB2' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -106.66 137.25 45.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.908 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.451 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -130.67 144.26 52.7 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.406 ' O ' ' HB3' ' A' ' 69' ' ' SER . 18.6 Cg_endo -75.0 155.65 42.92 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.526 1.803 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.612 ' CE2' ' CD ' ' A' ' 70' ' ' LYS . 7.2 t80 -77.84 -37.39 48.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -54.99 -50.62 68.55 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.491 1.119 . . . . 0.0 110.259 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -45.94 72.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 110.209 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.472 ' HB2' ' CA ' ' A' ' 74' ' ' GLY . 1.2 p -58.23 -49.51 76.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.972 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.612 ' CD ' ' CE2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -67.16 -17.78 65.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.132 . . . . 0.0 109.236 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -69.66 -43.76 71.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -106.98 -69.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.363 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 69' ' ' SER . 6.7 m-85 -132.95 -86.05 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.472 ' CA ' ' HB2' ' A' ' 69' ' ' SER . . . 70.22 11.02 66.84 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.387 1.054 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -112.94 94.58 30.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.551 0.794 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.47 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.3 Cg_endo -74.84 175.2 11.49 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.421 1.748 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.467 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 4.2 m120 -49.29 133.87 19.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.56 ' HD3' ' CE1' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -87.59 90.91 8.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.46 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 10.1 mmt180 -101.36 -175.4 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.248 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.43 -44.06 75.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.62 -8.91 77.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.403 1.065 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.624 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 3.2 t80 -82.25 -47.76 12.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 22.9 t -66.98 -54.11 25.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.64 -30.28 68.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.226 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.546 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -66.66 -57.08 10.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.794 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.23 -27.39 63.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.584 0.814 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.591 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -86.46 -21.93 26.76 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.517 1.136 . . . . 0.0 108.031 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.69 -23.5 61.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 110.365 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.56 ' HB ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -99.63 -41.14 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.356 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.416 ' N ' HD13 ' A' ' 89' ' ' ILE . 2.6 mt-10 -77.65 -28.02 51.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.563 1.165 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.591 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.5 m120 -134.0 58.66 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 95' ' ' VAL . 20.0 p30 -63.94 156.28 74.32 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.239 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.86 -20.19 17.47 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.565 1.824 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.681 HG23 ' O ' ' A' ' 94' ' ' THR . 13.3 t -138.61 92.03 2.59 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.496 1.123 . . . . 0.0 110.459 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.453 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 7.4 p -94.15 142.76 12.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.215 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -111.43 -39.52 4.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 109.274 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.35 166.94 3.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.401 1.063 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.4 m -150.47 138.41 20.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 137.05 -114.04 1.09 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.41 1.068 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.651 ' N ' ' CD1' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.458 0.17 . . . . 0.0 111.045 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.42 157.25 30.95 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.131 . . . . 0.0 109.958 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -94.86 167.73 11.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.83 129.15 56.65 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.477 1.111 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -113.31 -174.25 2.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.412 1.07 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.496 ' NE ' ' OD2' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -95.55 -179.73 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.531 ' NE2' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -102.99 -63.73 1.14 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 110.25 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.531 ' HG3' ' NE2' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -125.89 -37.04 2.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 0.0 109.23 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.491 ' N ' ' CD ' ' A' ' 8' ' ' LYS . 1.6 pp20? -64.12 113.04 3.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.257 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.479 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 3.6 p90 -134.18 129.94 36.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 12' ' ' CYS . 4.3 mtpp -134.43 -179.55 5.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 11' ' ' LYS . 34.7 t -41.43 144.32 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 108.36 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.23 -0.37 75.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.571 1.169 . . . . 0.0 111.003 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.496 ' OD2' ' NE ' ' A' ' 6' ' ' ARG . 10.6 t0 -93.8 139.52 30.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.395 0.703 . . . . 0.0 109.236 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.622 HD13 ' O ' ' A' ' 28' ' ' ALA . 0.3 OUTLIER -113.94 135.85 53.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.611 1.194 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -154.96 178.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.604 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -91.44 109.78 21.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.48 1.113 . . . . 0.0 111.057 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.698 ' HB2' HD21 ' A' ' 63' ' ' LEU . . . -94.42 137.39 33.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.653 1.221 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -123.75 140.52 52.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.136 . . . . 0.0 109.239 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.458 ' O ' ' O ' ' A' ' 23' ' ' TYR . 2.2 ttt -130.34 155.86 45.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -56.71 126.9 28.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.598 1.186 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.64 -16.06 32.91 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.529 ' CE2' ' CE3' ' A' ' 26' ' ' TRP . 2.7 t80 -115.78 130.23 24.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.446 0.733 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.29 29.49 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.604 ' CD2' ' HB3' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -40.48 130.87 2.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.696 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.715 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.4 OUTLIER -140.25 143.27 32.9 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.715 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.5 Cg_endo -75.02 109.65 2.97 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.411 1.743 . . . . 0.0 111.096 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.622 ' O ' HD13 ' A' ' 15' ' ' LEU . . . -130.02 156.53 44.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.595 1.184 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.478 ' HA ' HD13 ' A' ' 15' ' ' LEU . 1.5 ptt180 -97.06 158.31 15.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.632 HD13 ' H ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -92.01 144.05 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.632 ' H ' HD13 ' A' ' 30' ' ' ILE . 54.2 m-20 -155.78 149.54 25.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -97.49 152.44 18.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 110.358 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -74.18 113.49 24.06 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 167.81 26.22 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.382 1.727 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -125.98 31.49 5.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 37' ' ' ALA . . . -89.21 -98.09 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 36' ' ' ALA . . . -39.57 -47.45 1.92 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.594 1.184 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.1 m -131.4 177.04 7.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.17 144.91 34.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.3 t -86.46 147.36 26.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.022 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.6 p -115.66 137.65 51.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.44 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.41 173.41 8.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 m120 59.58 44.9 13.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 109.344 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.06 150.95 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.379 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.46 ' HD2' ' HH ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -129.79 132.25 46.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 31' ' ' ASP . 22.9 tt0 -78.87 139.24 38.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 55' ' ' THR . 3.3 t -131.43 132.49 62.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.584 ' CE1' ' HB ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -107.48 110.3 22.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.978 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.418 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 2.9 m-85 -78.9 124.51 28.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.601 1.188 . . . . 0.0 111.071 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.429 ' HE2' HD11 ' A' ' 15' ' ' LEU . 20.2 m-85 -82.95 -12.12 57.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 111.085 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.533 ' HA3' ' NE1' ' A' ' 26' ' ' TRP . . . -72.51 -57.74 5.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.1 p -90.96 -15.9 28.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 74.6 38.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.087 . . . . 0.0 109.604 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -139.53 156.17 47.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.584 ' HB ' ' CE1' ' A' ' 48' ' ' PHE . 4.9 t -102.94 141.89 34.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.47 1.106 . . . . 0.0 110.437 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.99 159.09 42.96 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.414 1.071 . . . . 0.0 109.366 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.515 ' CG ' ' O ' ' A' ' 57' ' ' PHE . 4.2 p90 -74.92 126.01 30.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.625 1.203 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.763 HD23 ' HB3' ' A' ' 62' ' ' ASP . 4.0 mp -152.25 177.58 10.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -132.76 -162.42 10.25 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.444 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.1 Cg_endo -75.05 -31.51 6.08 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.519 1.8 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -46.46 73.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.763 ' HB3' HD23 ' A' ' 58' ' ' LEU . 2.6 m-20 -66.76 -12.31 58.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.698 HD21 ' HB2' ' A' ' 18' ' ' ALA . 15.5 mt -108.77 116.49 32.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -108.03 148.98 38.52 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.408 ' O ' ' HB3' ' A' ' 69' ' ' SER . 18.2 Cg_endo -75.05 164.65 32.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.511 1.795 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.514 ' CE2' ' HD2' ' A' ' 70' ' ' LYS . 9.3 t80 -81.72 -39.04 24.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -53.19 -51.28 62.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.608 1.193 . . . . 0.0 110.28 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.12 -34.45 76.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.404 1.065 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.468 ' HB2' ' CA ' ' A' ' 74' ' ' GLY . 1.6 p -64.32 -51.98 60.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.445 1.09 . . . . 0.0 109.997 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.514 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 2.1 pttm -68.77 -13.73 62.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.64 -44.2 57.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -106.53 -69.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' SER . 3.2 m-85 -133.12 -84.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.468 ' CA ' ' HB2' ' A' ' 69' ' ' SER . . . 71.6 4.88 59.02 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.433 1.083 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -113.08 95.24 33.85 Favored Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.547 0.793 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.574 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 18.0 Cg_endo -74.98 174.97 11.86 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.439 1.757 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.657 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 14.8 m120 -49.47 119.04 3.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.478 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -71.52 75.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.466 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 14.7 mmt180 -89.68 -174.8 4.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -65.42 -67.26 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.06 -13.3 26.68 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.496 1.123 . . . . 0.0 110.938 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.657 ' CD2' ' O ' ' A' ' 77' ' ' ASN . 0.4 OUTLIER -75.99 -36.95 59.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 0.795 . . . . 0.0 111.056 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 40.4 t -74.64 -57.64 3.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.04 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 4.7 pt-20 -57.79 -36.06 71.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.098 . . . . 0.0 110.28 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.564 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -67.57 -52.71 28.56 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.989 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -61.21 -29.57 69.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 0.727 . . . . 0.0 109.288 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.433 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.2 OUTLIER -86.59 -22.38 26.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 0.0 107.964 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -68.16 -27.95 66.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.362 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.775 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -95.79 -43.52 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.642 ' N ' HD13 ' A' ' 89' ' ' ILE . 15.8 mm-40 -70.81 -36.2 72.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.213 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.433 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 1.8 m120 -133.51 72.92 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.754 HD21 HG23 ' A' ' 95' ' ' VAL . 16.9 p-10 -78.57 149.04 74.36 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -29.34 8.37 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 111.048 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 50.7 m -119.09 90.42 3.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.448 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.754 HG23 HD21 ' A' ' 92' ' ' ASN . 1.4 p -99.91 -172.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.652 ' H ' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -175.34 -42.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.52 82.56 7.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.6 m -49.16 144.24 5.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.594 1.184 . . . . 0.0 109.96 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 168.19 94.68 0.1 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.428 1.08 . . . . 0.0 111.036 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.619 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.419 0.717 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.451 0.167 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.89 157.79 27.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.926 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.33 156.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.374 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.4 p -98.07 113.89 25.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -116.66 132.72 56.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.381 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.475 ' CG ' ' HB3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -57.71 -175.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.223 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.54 ' N ' ' CD ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -116.25 -43.07 2.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.503 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -62.05 -10.66 10.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.475 ' HB3' ' CG ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -53.84 -172.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.227 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 8.1 p90 -147.54 142.17 26.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 14' ' ' ASP . 1.9 mtpp -141.11 -179.86 6.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.336 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.463 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 31.1 p -48.62 143.96 4.69 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.461 1.101 . . . . 0.0 108.301 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.47 -0.41 85.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.555 1.159 . . . . 0.0 111.096 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 15.5 t70 -77.41 152.05 34.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 109.225 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.631 HD13 ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -116.95 127.18 53.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.741 HG23 HD22 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -146.55 176.81 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.642 1.214 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.554 ' CE1' ' HG3' ' A' ' 76' ' ' PRO . 0.2 OUTLIER -93.3 109.81 21.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.556 ' HB2' HD21 ' A' ' 63' ' ' LEU . . . -93.44 130.41 39.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.5 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 3.3 tttm -115.22 141.07 48.52 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.483 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -130.31 153.67 48.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.067 . . . . 0.0 110.98 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -56.1 124.75 18.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.68 -20.97 24.96 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.692 ' CE2' ' CD2' ' A' ' 26' ' ' TRP . 2.5 t80 -113.59 133.85 22.12 Favored Pre-proline 0 C--N 1.328 -0.361 0 O-C-N 124.473 0.749 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.41 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 18.2 Cg_endo -74.98 170.24 20.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.52 1.8 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.623 ' CE1' ' HB2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -45.12 124.43 4.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.639 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.702 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.4 OUTLIER -129.4 144.11 51.54 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.583 1.177 . . . . 0.0 108.024 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.702 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.3 Cg_endo -74.94 109.32 2.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.518 1.799 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.631 ' O ' HD13 ' A' ' 15' ' ' LEU . . . -130.1 162.09 29.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.483 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 9.0 ttt180 -102.17 154.63 18.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.586 1.179 . . . . 0.0 110.361 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.783 HD11 ' CE2' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -82.49 149.41 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.479 ' H ' HD13 ' A' ' 30' ' ' ILE . 12.8 m-20 -158.9 153.03 23.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -113.54 155.65 25.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.436 ' CE ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -73.21 118.84 72.08 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.464 1.102 . . . . 0.0 111.01 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 176.46 9.88 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 14.6 pt-20 -83.93 46.64 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.8 -54.0 2.36 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.574 1.171 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.65 -28.99 30.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.509 HG21 ' HB2' ' A' ' 42' ' ' ALA . 34.7 m -141.53 178.03 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.593 1.183 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -48.14 -79.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 41' ' ' THR . 1.1 p -146.1 -62.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 109.981 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.466 ' N ' ' OG ' ' A' ' 40' ' ' SER . 4.2 p -103.29 128.91 50.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 110.35 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.509 ' HB2' HG21 ' A' ' 38' ' ' VAL . . . -103.76 177.56 4.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -87.33 -35.87 18.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.436 ' O ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -92.67 156.0 17.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.783 ' CE2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -98.75 147.64 24.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.434 ' N ' ' HE1' ' A' ' 33' ' ' MET . 18.4 tt0 -96.52 138.41 34.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.464 HG22 HD11 ' A' ' 63' ' ' LEU . 5.6 t -134.0 141.02 45.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.606 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -113.51 103.19 11.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.95 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.525 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 5.2 m-85 -72.4 117.85 14.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.399 1.062 . . . . 0.0 110.946 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.605 ' HE2' HD21 ' A' ' 15' ' ' LEU . 25.6 m-85 -73.15 -32.14 64.7 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.455 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . -56.73 -56.79 22.9 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.556 1.16 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.6 p -90.54 -22.76 21.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 0.738 . . . . 0.0 110.392 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER 73.95 38.82 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 109.585 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -129.24 151.75 49.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.606 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 4.9 m -95.56 112.25 24.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.414 1.071 . . . . 0.0 110.442 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -114.92 137.05 52.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 0.0 109.325 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.562 ' CG ' ' O ' ' A' ' 57' ' ' PHE . 7.2 p90 -72.8 121.53 20.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.972 HD22 ' CG ' ' A' ' 62' ' ' ASP . 31.6 mt -145.12 177.62 8.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.239 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.38 -160.65 10.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.399 1.062 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -74.98 -27.69 9.83 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -33.52 70.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.972 ' CG ' HD22 ' A' ' 58' ' ' LEU . 1.3 m-20 -83.18 -7.06 59.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.741 HD22 HG23 ' A' ' 16' ' ' VAL . 10.8 mt -117.13 116.5 27.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.623 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 2.3 m-85 -113.14 136.11 21.77 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.379 1.05 . . . . 0.0 111.038 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 64' ' ' PHE . 18.5 Cg_endo -74.92 154.97 43.3 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.511 1.795 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.414 ' CZ ' ' HD2' ' A' ' 70' ' ' LYS . 9.0 t80 -56.79 -37.98 71.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -49.58 76.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.445 1.091 . . . . 0.0 110.323 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.61 -46.11 55.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 74' ' ' GLY . 0.2 OUTLIER -54.27 -50.42 67.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.414 ' HD2' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -65.17 -27.22 68.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -59.47 -39.97 85.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -98.67 -67.69 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.259 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -132.53 -63.82 0.78 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.494 1.121 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 73.08 0.49 52.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.435 1.084 . . . . 0.0 111.033 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.77 97.36 17.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.347 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.554 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 18.2 Cg_endo -74.95 174.92 11.93 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.783 . . . . 0.0 111.026 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.636 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 4.5 m-20 -49.1 120.8 4.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.595 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -72.54 75.04 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.342 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.409 ' N ' ' HB3' ' A' ' 82' ' ' PHE . 19.7 mmt180 -88.22 -175.99 5.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -70.78 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.35 -13.9 11.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.636 ' CD2' ' O ' ' A' ' 77' ' ' ASN . 0.2 OUTLIER -77.81 -33.38 52.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 110.933 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.8 t -77.81 -58.97 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.0 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' A' ' 88' ' ' GLU . 3.1 pt-20 -55.56 -38.36 69.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.39 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.815 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -65.06 -62.06 5.26 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.797 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -50.58 -30.96 14.48 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.421 0.718 . . . . 0.0 109.315 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.612 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -87.39 -27.16 22.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 107.964 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 84' ' ' GLU . 2.0 tm-20 -73.47 -19.58 60.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.088 . . . . 0.0 110.334 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.815 HG22 ' O ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -101.73 -39.65 6.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.465 ' OE1' HD21 ' A' ' 86' ' ' LEU . 17.3 mt-10 -82.57 -25.95 32.82 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.476 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.2 m120 -134.02 66.11 1.56 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -64.75 148.36 97.2 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -30.27 7.32 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.442 1.759 . . . . 0.0 111.059 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.5 m -137.82 84.34 2.04 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.448 1.092 . . . . 0.0 110.333 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.401 HG12 ' H ' ' A' ' 95' ' ' VAL . 3.4 p -67.82 109.17 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 97' ' ' ALA . 0.2 OUTLIER -76.91 -32.59 57.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.355 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.431 ' N ' ' HG3' ' A' ' 96' ' ' LYS . . . -150.86 153.71 35.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -52.53 27.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 124.81 -93.71 0.45 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.609 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.427 0.156 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -127.21 167.26 16.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.048 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.57 165.6 12.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.382 1.051 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.64 111.04 20.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.002 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -117.14 159.32 22.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -72.99 -178.68 2.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.478 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -100.5 -81.8 0.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.46 1.1 . . . . 0.0 110.216 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.33 -29.66 5.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 1.2 pt-20 -114.21 -175.72 2.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.617 1.198 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.474 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 11.9 p90 -147.33 115.85 6.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -97.21 173.78 7.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.5 t -52.39 148.14 7.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 108.304 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.97 -10.21 71.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -72.04 149.97 44.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 0.79 . . . . 0.0 109.403 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.622 HD23 ' HA ' ' A' ' 29' ' ' ARG . 0.5 OUTLIER -120.75 131.23 54.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.689 HG13 ' N ' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -150.66 179.84 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.689 ' N ' HG13 ' A' ' 16' ' ' VAL . 23.5 m-85 -91.87 110.7 22.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.84 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -94.82 151.56 19.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.7 137.75 53.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.475 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -124.65 149.11 47.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.528 1.142 . . . . 0.0 110.952 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.85 120.51 8.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.391 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.18 -20.0 46.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.53 ' OH ' ' CE2' ' A' ' 26' ' ' TRP . 0.7 OUTLIER -117.37 133.73 23.19 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.433 0.725 . . . . 0.0 110.977 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 25' ' ' HIS . 18.3 Cg_endo -75.02 173.59 14.24 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.48 1.779 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.514 ' O ' ' CG ' ' A' ' 76' ' ' PRO . 0.1 OUTLIER -39.52 128.96 1.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.59 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.672 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.8 OUTLIER -138.06 152.57 72.18 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 108.05 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.672 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.1 Cg_endo -75.02 103.65 1.77 Allowed 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.591 1.837 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -126.51 143.76 51.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.622 ' HA ' HD23 ' A' ' 15' ' ' LEU . 6.9 ttp180 -91.77 160.27 15.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.808 HD13 ' H ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -89.55 144.05 9.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.808 ' H ' HD13 ' A' ' 30' ' ' ILE . 9.3 m-20 -155.21 145.82 22.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -96.8 170.94 8.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 110.401 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.95 114.03 28.81 Favored Pre-proline 0 C--N 1.323 -0.552 0 O-C-N 124.572 1.17 . . . . 0.0 111.059 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 170.48 20.32 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.454 1.765 . . . . 0.0 110.936 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -148.01 34.64 0.83 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.71 -86.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.077 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.43 14.71 30.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.602 1.189 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.663 HG22 ' H ' ' A' ' 39' ' ' LYS . 5.5 p -143.53 177.55 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.408 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.663 ' H ' HG22 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -109.16 -176.72 3.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.419 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.5 p -123.89 164.51 19.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.493 HG22 ' N ' ' A' ' 42' ' ' ALA . 93.0 m -117.76 173.86 6.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 110.465 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.493 ' N ' HG22 ' A' ' 41' ' ' THR . . . -100.31 158.63 15.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.53 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 3.4 p-10 40.44 72.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.35 145.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.54 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -126.34 152.29 46.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.83 ' OE1' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -91.75 128.82 37.73 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.484 HG11 HD12 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -129.88 118.79 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -97.22 110.6 23.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.059 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -83.75 120.5 26.1 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.492 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 9.1 m-85 -78.36 -31.52 48.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 111.072 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.546 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . -57.32 -56.96 22.29 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 p -82.59 -19.86 37.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 0.792 . . . . 0.0 110.391 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.4 t60 70.38 38.29 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.629 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -140.07 163.15 33.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.223 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.83 HG23 ' OE1' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -96.33 120.3 36.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.338 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -118.75 134.77 54.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.604 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 54.5 p90 -77.59 112.69 14.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.787 HD13 ' HB3' ' A' ' 62' ' ' ASP . 19.6 mt -133.26 177.62 7.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.56 1.162 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.76 -156.12 10.06 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.475 1.11 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 63' ' ' LEU . 17.9 Cg_endo -75.1 -44.62 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.779 . . . . 0.0 111.026 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -49.77 74.53 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.488 1.117 . . . . 0.0 109.229 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.787 ' HB3' HD13 ' A' ' 58' ' ' LEU . 1.6 m-20 -55.06 -21.58 13.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.378 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.84 ' CD1' ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -101.3 126.88 48.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.65 137.22 29.3 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.566 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 18.1 Cg_endo -75.05 173.9 13.71 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.504 1.792 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -73.95 -37.73 64.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -52.54 -50.43 62.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -47.48 52.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.357 1.036 . . . . 0.0 110.274 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 74' ' ' GLY . 4.7 p -55.84 -48.13 76.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -22.55 65.1 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -63.04 -42.54 99.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -97.65 -67.49 0.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.397 1.06 . . . . 0.0 109.38 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -132.75 -66.7 0.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 76.8 -2.44 59.51 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -123.58 96.18 43.86 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.605 0.826 . . . . 0.0 109.344 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.514 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.4 Cg_endo -74.95 174.97 11.85 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.479 1.778 . . . . 0.0 111.06 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.563 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 8.7 m-20 -52.3 131.7 33.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.51 ' HG2' ' CE1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -84.84 85.41 7.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.405 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 27.0 mmt85 -97.7 -174.9 3.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 0.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -43.23 79.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.602 1.189 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.57 -7.93 85.79 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.603 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 2.5 t80 -82.68 -48.64 10.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 0.73 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.1 OUTLIER -67.2 -51.95 47.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 88' ' ' GLU . 5.4 pt-20 -69.5 -36.16 76.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.223 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.61 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -63.5 -53.57 37.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.47 1.106 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.777 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -59.65 -28.2 67.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 0.767 . . . . 0.0 109.37 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.532 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -86.62 -20.84 27.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 107.989 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 84' ' ' GLU . 4.9 mt-10 -73.64 -22.88 59.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.788 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -100.15 -42.32 10.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.432 1.082 . . . . 0.0 109.24 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.619 ' N ' HD13 ' A' ' 89' ' ' ILE . 3.9 mt-10 -76.72 -31.62 57.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.211 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.456 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.6 m120 -133.13 72.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.227 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -76.13 132.56 73.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -55.37 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.514 1.797 . . . . 0.0 111.041 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.412 ' O ' HG22 ' A' ' 94' ' ' THR . 16.3 m -139.49 70.61 1.37 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.161 . . . . 0.0 110.47 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 97' ' ' ALA . 2.8 p -53.35 100.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -62.01 -32.08 72.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.527 ' HB3' HH22 ' A' ' 29' ' ' ARG . . . -71.47 154.62 41.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.9 p -55.13 136.44 48.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.94 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -77.63 -145.74 2.42 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.455 1.097 . . . . 0.0 111.066 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.622 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.443 0.731 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.505 0.193 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 p -174.42 157.62 2.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.2 ptt-85 -81.41 163.17 22.99 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.397 1.061 . . . . 0.0 110.348 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.3 p -102.9 153.76 19.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.477 1.11 . . . . 0.0 109.974 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -73.46 150.75 41.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.377 1.048 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.436 ' HB2' ' HB2' ' A' ' 9' ' ' GLU . 1.9 ptp180 -99.56 -180.0 4.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.607 1.192 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.443 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -100.93 -115.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.516 ' C ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -82.83 15.74 2.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.436 ' HB2' ' HB2' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -54.57 132.59 45.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.414 1.071 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.415 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 1.6 p90 -146.98 163.2 36.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.04 164.94 34.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.8 t -42.2 119.47 1.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 108.256 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 112.02 -8.08 27.3 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.44 1.088 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -78.67 122.71 26.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 0.736 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.692 ' O ' HG13 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -99.86 141.96 31.98 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.692 HG13 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -164.07 177.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 109.324 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.583 ' O ' ' CE1' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -93.1 109.36 20.84 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.812 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . . . -109.62 128.73 55.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.474 ' CB ' ' HA ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -107.45 161.54 14.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.16 162.79 30.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.33 118.13 5.2 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 0.0 109.382 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.3 -15.56 49.21 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 111.048 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.585 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 2.2 t80 -109.52 135.46 20.33 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.439 0.729 . . . . 0.0 111.043 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.585 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 18.6 Cg_endo -74.96 155.88 43.16 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.583 1.833 . . . . 0.0 111.019 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.583 ' CE1' ' O ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -40.91 117.31 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.565 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.616 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -121.34 157.06 57.02 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.497 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.6 Cg_endo -74.98 103.64 1.76 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.541 1.811 . . . . 0.0 111.073 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.812 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -123.91 151.4 43.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.599 1.187 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.53 ' HB3' HD21 ' A' ' 15' ' ' LEU . 12.6 ptt180 -104.28 150.41 24.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.44 147.95 9.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 109.235 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -160.91 147.51 15.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.12 171.96 7.06 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 110.246 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.544 ' CE ' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER -73.1 132.63 82.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 111.092 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 173.83 13.79 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 111.032 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -150.92 20.99 0.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.356 1.035 . . . . 0.0 110.364 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.34 -75.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.59 -57.14 13.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.1 m -136.16 148.72 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.385 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' N ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -101.49 80.68 2.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.609 1.193 . . . . 0.0 109.26 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.0 95.71 5.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.593 1.183 . . . . 0.0 109.983 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.544 HG22 ' CE ' ' A' ' 33' ' ' MET . 70.4 p -78.07 121.14 23.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.508 ' HB3' ' CE ' ' A' ' 44' ' ' LYS . . . -104.66 151.29 23.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.49 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 3.5 p-10 -86.88 54.08 3.05 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.544 1.153 . . . . 0.0 109.38 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.508 ' CE ' ' HB3' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -153.84 178.22 10.14 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.998 ' OH ' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -109.86 126.74 54.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.485 ' OE1' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -73.77 108.09 6.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.998 HG23 ' OH ' ' A' ' 45' ' ' TYR . 12.2 p -94.35 140.05 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.49 ' HB3' ' CG ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -121.75 98.23 5.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 0.0 110.933 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -74.94 126.12 30.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 110.955 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.585 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 2.2 m-85 -87.73 -55.07 3.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 111.069 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.25 -52.45 2.8 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.457 1.098 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.505 ' CG2' ' OH ' ' A' ' 23' ' ' TYR . 47.9 p -84.56 -26.38 28.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 0.783 . . . . 0.0 110.432 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 74.06 38.43 0.56 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.545 1.153 . . . . 0.0 109.6 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -133.28 164.1 27.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.485 HG23 ' OE1' ' A' ' 46' ' ' GLN . 0.6 OUTLIER -105.71 161.32 14.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.551 ' C ' HG12 ' A' ' 47' ' ' VAL . . . -163.05 -179.66 6.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.455 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 2.6 p90 -122.65 103.76 8.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.937 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.961 HD22 ' CG ' ' A' ' 62' ' ' ASP . 67.4 mt -126.84 178.39 5.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.634 1.209 . . . . 0.0 109.308 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.32 -161.43 11.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -26.59 10.73 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.476 1.777 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -16.72 60.85 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.961 ' CG ' HD22 ' A' ' 58' ' ' LEU . 1.2 m-20 -102.48 5.58 39.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 109.378 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.72 ' CD2' ' HB2' ' A' ' 18' ' ' ALA . 5.0 mt -128.88 126.19 39.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.423 ' CD2' ' HD2' ' A' ' 65' ' ' PRO . 0.2 OUTLIER -124.96 144.64 47.6 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.91 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.423 ' HD2' ' CD2' ' A' ' 64' ' ' PHE . 18.5 Cg_endo -74.92 167.31 27.36 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -79.78 -39.73 30.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.37 -51.33 59.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.519 1.137 . . . . 0.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.59 -47.76 30.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.246 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 73' ' ' PHE . 9.9 m -53.74 -45.83 70.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.929 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -20.2 60.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -60.54 -44.79 95.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.49 ' HE2' ' CD1' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -103.15 -66.66 0.92 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.49 ' CD1' ' HE2' ' A' ' 72' ' ' LYS . 1.4 m-85 -132.09 -82.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.071 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.78 9.5 62.59 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.505 1.128 . . . . 0.0 111.075 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -114.66 94.76 38.21 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 109.229 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 174.86 12.06 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.459 1.768 . . . . 0.0 111.079 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.582 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 5.9 m-20 -49.72 127.48 16.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.456 1.097 . . . . 0.0 109.363 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.568 ' HD2' ' CZ ' ' A' ' 82' ' ' PHE . 2.5 mptp? -78.84 86.29 4.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.611 1.194 . . . . 0.0 109.267 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.553 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 13.5 mmt85 -100.96 -174.86 2.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 110.254 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.56 -53.56 22.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.403 1.064 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.69 -5.29 50.51 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.56 1.163 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.616 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 1.8 t80 -81.81 -48.5 11.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 111.054 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.588 ' O ' HD13 ' A' ' 86' ' ' LEU . 30.4 t -68.52 -54.53 16.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.505 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 4.6 pt-20 -70.31 -9.25 55.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.352 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.588 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -82.05 -64.14 1.75 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.509 1.131 . . . . 0.0 110.927 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.807 ' C ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.68 -23.93 60.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 0.789 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.695 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -86.22 -28.87 23.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 108.009 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 1.2 mm-40 -66.75 -24.01 66.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.668 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -100.17 -43.67 11.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.613 ' N ' HD13 ' A' ' 89' ' ' ILE . 1.4 mm-40 -69.85 -26.4 64.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.07 . . . . 0.0 110.332 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.519 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.3 m120 -133.5 61.68 1.67 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.44 HD21 HG23 ' A' ' 95' ' ' VAL . 9.2 p-10 -70.97 156.7 91.69 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -37.8 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 111.065 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 86.0 m -113.94 89.2 3.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.599 1.187 . . . . 0.0 110.321 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.729 HG22 ' H ' ' A' ' 96' ' ' LYS . 2.7 p -94.27 -174.62 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.228 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.729 ' H ' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -174.14 -39.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 109.305 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -114.92 81.73 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.236 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.95 -62.95 1.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.582 1.176 . . . . 0.0 109.98 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.67 112.66 3.24 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.612 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.457 0.17 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.6 p -164.27 159.78 20.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.965 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.408 ' N ' ' HD2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -38.74 149.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.4 t -112.04 163.45 14.26 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.483 1.114 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -75.71 179.31 5.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.48 ' CD ' ' HB3' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -86.26 -179.9 6.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.422 ' CD ' ' N ' ' A' ' 7' ' ' GLN . 0.4 OUTLIER -116.32 -43.74 2.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.296 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.439 ' HD3' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -142.11 -39.87 0.36 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.439 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 3.9 pt-20 -119.47 140.74 49.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.637 1.211 . . . . 0.0 110.259 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.48 ' HB3' ' CD ' ' A' ' 6' ' ' ARG . 27.6 p90 -115.35 111.57 21.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' CYS . 2.4 ptmt -121.6 -179.95 4.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.45 ' HA ' HG23 ' A' ' 30' ' ' ILE . 4.7 t -41.59 135.96 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 108.349 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.9 1.2 59.95 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.1 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -102.77 127.54 49.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.859 HD22 ' H ' ' A' ' 16' ' ' VAL . 0.9 OUTLIER -97.99 141.72 30.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.859 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -159.95 179.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.43 ' O ' ' CE1' ' A' ' 25' ' ' HIS . 10.2 m-85 -90.76 108.89 20.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.589 1.181 . . . . 0.0 110.925 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.92 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . . . -113.33 128.29 56.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.441 ' CB ' ' HA ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -108.24 163.02 13.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.341 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -132.27 163.59 28.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.65 118.0 4.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.72 -19.12 26.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.605 1.19 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.634 ' OH ' HG23 ' A' ' 52' ' ' THR . 1.4 t80 -103.0 134.48 19.77 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.581 0.813 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.573 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -75.05 157.45 42.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.398 1.736 . . . . 0.0 110.981 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.511 ' CE1' ' HB2' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -42.33 111.58 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.671 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.617 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -117.24 158.71 43.89 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 107.92 -179.904 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.456 ' HB2' HG21 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.06 103.13 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.79 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.92 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -122.04 152.02 40.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.09 137.16 43.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.805 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -63.24 142.13 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.585 1.178 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.458 ' H ' HD13 ' A' ' 30' ' ' ILE . 0.7 OUTLIER -150.45 148.88 29.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -107.58 143.0 36.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.612 1.195 . . . . 0.0 110.362 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.524 ' CG ' ' O ' ' A' ' 33' ' ' MET . 11.0 ptp -72.76 118.04 64.69 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.41 1.069 . . . . 0.0 110.959 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.91 11.96 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.616 1.85 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -131.21 36.81 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.251 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.88 -60.67 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.42 -44.25 95.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.571 1.169 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.544 HG22 ' N ' ' A' ' 39' ' ' LYS . 13.7 p -143.36 171.11 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.544 ' N ' HG22 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -109.2 111.36 22.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.5 t -121.4 177.53 5.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.118 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.4 p -118.95 179.83 4.04 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.71 127.7 42.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 174.19 -34.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.449 ' HG3' ' CE ' ' A' ' 33' ' ' MET . 32.3 pttt -115.63 178.01 4.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.805 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -132.72 151.95 51.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.422 ' O ' ' O ' ' A' ' 31' ' ' ASP . 9.7 tt0 -96.93 134.21 40.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.8 t -125.93 130.76 72.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.234 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.592 ' CE1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -107.91 98.49 8.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.911 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -72.28 125.46 27.4 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.41 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 3.5 m-85 -88.46 -55.42 3.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 111.018 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.416 ' HA2' ' CA ' ' A' ' 85' ' ' GLY . . . -39.58 -36.85 0.75 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.634 HG23 ' OH ' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -104.06 -26.53 12.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 110.367 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 74.3 36.52 0.65 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.118 . . . . 0.0 109.619 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -127.35 163.4 24.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.592 ' OG1' ' CE1' ' A' ' 48' ' ' PHE . 18.1 m -120.09 135.57 54.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.485 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.82 169.21 17.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.098 . . . . 0.0 109.22 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.541 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 53.5 p90 -92.82 118.08 30.72 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.507 1.129 . . . . 0.0 111.04 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.873 HD22 ' CG ' ' A' ' 62' ' ' ASP . 19.0 mt -144.09 178.21 8.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.7 -166.39 11.75 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.419 1.074 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -17.71 19.44 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.78 -31.03 67.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.873 ' CG ' HD22 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -93.07 -0.38 57.1 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -109.06 135.71 49.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.344 1.027 . . . . 0.0 109.318 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.511 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -132.88 140.43 37.66 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 170.32 20.69 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.439 1.758 . . . . 0.0 111.07 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.588 ' CE2' ' CD ' ' A' ' 70' ' ' LYS . 20.7 t80 -82.59 -42.03 18.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -52.02 -50.89 60.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.265 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.82 -32.93 74.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.389 1.055 . . . . 0.0 110.376 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.491 ' CB ' ' HA3' ' A' ' 74' ' ' GLY . 0.7 OUTLIER -67.61 -52.14 41.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.595 1.184 . . . . 0.0 110.041 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.588 ' CD ' ' CE2' ' A' ' 66' ' ' TYR . 0.4 OUTLIER -68.67 -11.73 60.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -45.54 33.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.367 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -106.23 -69.75 0.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.369 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 69' ' ' SER . 42.1 m-85 -133.37 -82.5 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.942 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.491 ' HA3' ' CB ' ' A' ' 69' ' ' SER . . . 70.8 25.59 75.47 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.92 93.9 22.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 109.209 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 174.92 11.94 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.454 1.765 . . . . 0.0 111.006 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.586 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 4.3 m120 -49.34 138.93 12.25 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.541 ' HD2' ' CD1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -89.93 88.7 7.42 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.473 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 6.4 mmt180 -100.22 -175.71 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -68.89 -47.03 66.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.593 1.183 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.78 -8.14 71.81 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.439 1.087 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.617 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 2.3 t80 -82.86 -44.12 15.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 0.79 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 4.6 t -69.64 -56.1 8.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.622 1.201 . . . . 0.0 109.975 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 6.6 pt-20 -68.34 -25.87 65.32 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.441 1.088 . . . . 0.0 110.235 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.543 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -72.61 -56.91 5.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.45 1.094 . . . . 0.0 111.069 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.864 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -57.56 -27.47 62.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 0.0 109.26 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.57 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -87.24 -23.55 24.69 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -69.2 -23.76 63.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.543 HG22 ' O ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -99.48 -41.66 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.207 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.504 ' N ' HD13 ' A' ' 89' ' ' ILE . 2.7 mm-40 -74.72 -27.24 60.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 110.251 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.57 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 2.3 m120 -133.68 60.98 1.69 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -64.86 112.73 8.7 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.248 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -0.49 10.03 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.573 1.828 . . . . 0.0 111.06 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 94' ' ' THR . 9.0 t -133.68 88.74 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 110.361 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.706 HG22 ' H ' ' A' ' 96' ' ' LYS . 3.0 p -75.47 -177.75 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.406 1.066 . . . . 0.0 109.336 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.706 ' H ' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -172.12 -41.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.09 118.17 6.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 m -81.0 151.84 28.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.077 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -146.56 141.47 9.55 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.61 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.631 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.459 0.171 . . . . 0.0 111.02 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.67 176.26 11.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.2 t -42.69 143.27 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.172 . . . . 0.0 108.285 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.18 -2.86 85.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -86.12 129.66 34.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.262 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -102.9 127.45 50.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.364 1.04 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.717 HG23 HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -145.59 178.63 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.434 1.083 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.461 ' O ' ' NE2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -92.3 114.75 27.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.952 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.781 ' HB2' ' CD2' ' A' ' 63' ' ' LEU . . . -110.99 130.03 55.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.523 ' HB3' ' CG ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -111.59 153.94 25.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -130.56 162.1 30.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.96 118.61 5.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.342 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.13 -14.08 51.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -111.32 134.4 21.15 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.772 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.592 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -75.0 155.35 42.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.523 ' CG ' ' HB3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -43.02 111.77 0.3 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.388 1.055 . . . . 0.0 109.577 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.61 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -113.25 157.79 40.03 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.576 1.173 . . . . 0.0 108.015 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 102.88 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.462 1.77 . . . . 0.0 111.063 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.716 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -125.58 147.82 49.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -94.61 160.18 14.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.729 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -87.87 144.61 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.669 ' H ' HD13 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -154.16 150.0 27.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.398 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -92.33 147.97 22.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.149 . . . . 0.0 110.272 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.473 ' CG ' ' O ' ' A' ' 33' ' ' MET . 3.0 ptt? -73.95 113.56 24.37 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 111.051 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 174.77 12.2 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -144.57 41.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.624 1.203 . . . . 0.0 110.224 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.14 -70.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 109.299 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.03 -47.94 79.72 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.349 1.031 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.1 m -138.21 177.14 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.27 103.58 14.58 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.2 m -63.42 175.54 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.055 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.2 p -117.07 -172.17 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.353 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . -100.58 177.61 4.96 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.405 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 5.9 p30 41.33 62.05 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.2 147.26 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.729 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -129.88 152.85 48.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 31' ' ' ASP . 32.0 tt0 -89.67 127.27 35.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.4 t -123.99 134.85 65.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.602 ' CE1' ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -111.31 114.12 27.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 54' ' ' GLU . 5.7 m-85 -86.94 126.29 34.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.438 1.087 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.543 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 17.6 m-85 -78.53 -58.72 3.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.59 -56.23 2.51 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.442 1.088 . . . . 0.0 111.082 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.3 p -79.57 -31.11 41.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.767 . . . . 0.0 110.434 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.7 t60 74.29 39.35 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.641 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 49' ' ' PHE . 7.8 pt-20 -140.19 159.2 42.72 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.602 ' OG1' ' CE1' ' A' ' 48' ' ' PHE . 46.1 m -98.76 148.15 24.17 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.622 1.201 . . . . 0.0 110.407 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -147.37 140.47 25.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -75.12 100.65 4.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.959 HD13 ' HB3' ' A' ' 62' ' ' ASP . 13.2 mt -131.24 172.91 11.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.088 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.07 -157.1 9.37 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.15 . . . . 0.0 110.933 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.12 -24.2 12.86 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.447 1.762 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -72.81 -20.77 61.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.959 ' HB3' HD13 ' A' ' 58' ' ' LEU . 1.2 m-20 -105.11 10.67 33.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.781 ' CD2' ' HB2' ' A' ' 18' ' ' ALA . 7.0 mt -133.92 133.02 40.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -133.8 132.9 21.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 111.021 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.494 ' HA ' HG12 ' A' ' 16' ' ' VAL . 18.0 Cg_endo -74.96 162.81 36.6 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.557 1.819 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.436 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 7.5 t80 -59.14 -41.39 88.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -52.89 -48.47 67.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.252 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.43 -45.6 37.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 74' ' ' GLY . 0.5 OUTLIER -56.03 -51.25 68.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.011 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.436 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -66.18 -25.06 66.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -42.81 91.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.6 -65.77 0.99 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.515 1.134 . . . . 0.0 109.205 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -131.44 -72.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.673 1.233 . . . . 0.0 110.99 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 76.02 2.3 71.29 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.46 94.17 23.34 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.567 0.804 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.425 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.2 Cg_endo -74.94 175.56 11.06 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.435 1.755 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.572 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 2.4 m-80 -48.58 140.0 8.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.14 90.35 6.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.457 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 6.0 mmm180 -100.84 -175.35 2.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 0.0 110.254 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -67.93 -45.92 72.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.13 -10.36 73.53 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.542 1.151 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.61 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 3.2 t80 -82.15 -44.24 16.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 0.727 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.2 OUTLIER -66.56 -55.23 16.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.952 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -69.33 -27.02 65.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 110.209 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.449 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -69.78 -56.39 8.36 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.001 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -58.91 -28.62 66.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 0.804 . . . . 0.0 109.36 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.559 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -85.05 -22.37 29.02 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.67 -24.86 62.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.543 ' HB ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -97.49 -44.31 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.42 ' N ' HD13 ' A' ' 89' ' ' ILE . 15.6 mm-40 -74.95 -28.62 60.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.14 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.559 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -134.22 67.3 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.3 p30 . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.966 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.507 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 2.9 p90 . . . . . 0 N--CA 1.451 -0.378 0 CA-C-O 120.517 0.199 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -139.81 -178.74 5.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -40.48 133.96 1.82 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 108.331 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.34 -10.12 65.14 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.44 1.087 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.1 131.69 35.24 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.691 ' O ' HG13 ' A' ' 16' ' ' VAL . 0.6 OUTLIER -102.93 143.81 32.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.691 HG13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -161.97 176.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.549 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -93.97 117.38 30.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.994 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.533 ' HA ' HD23 ' A' ' 63' ' ' LEU . . . -89.6 134.62 34.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.331 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.516 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 4.1 tptt -124.61 121.65 35.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.591 1.182 . . . . 0.0 109.356 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.644 ' SD ' HD11 ' A' ' 58' ' ' LEU . 1.1 ttp -131.27 155.89 46.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.948 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -56.96 123.46 15.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.46 -18.95 30.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.539 1.149 . . . . 0.0 111.081 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 26' ' ' TRP . 25.1 t80 -110.62 122.32 38.68 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.472 0.748 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.511 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -75.0 156.92 43.0 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -41.68 114.22 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.552 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.58 ' CZ2' ' HB2' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -126.29 153.28 74.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 108.044 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.512 ' HB2' HG21 ' A' ' 89' ' ' ILE . 18.1 Cg_endo -75.06 102.87 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.401 1.738 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.532 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . . . -121.74 148.35 44.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.405 1.065 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.59 ' HA ' HD13 ' A' ' 15' ' ' LEU . 11.5 ptt180 -96.19 153.96 17.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.603 1.189 . . . . 0.0 110.21 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.953 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -80.55 146.2 7.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 109.18 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.477 ' H ' HD13 ' A' ' 30' ' ' ILE . 1.3 m-20 -148.42 152.24 36.63 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.232 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -108.61 154.03 22.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.9 mmm -82.27 115.34 57.25 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.591 1.182 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 169.2 23.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -142.48 33.46 1.46 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 110.339 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -99.66 -70.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.67 -44.98 66.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.372 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.3 m -142.63 162.37 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.78 102.91 12.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.248 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 m -107.82 168.04 9.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.971 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.1 p -86.32 124.13 32.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.113 . . . . 0.0 110.406 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.92 122.29 28.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -163.01 -43.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.58 1.175 . . . . 0.0 109.353 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.47 178.69 4.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.953 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -111.77 152.3 27.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.47 ' HB3' ' CB ' ' A' ' 31' ' ' ASP . 1.8 tt0 -89.16 138.33 31.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.4 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.483 ' O ' HG23 ' A' ' 55' ' ' THR . 0.4 OUTLIER -128.38 140.54 48.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.393 1.058 . . . . 0.0 109.348 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.603 ' CE2' ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -131.83 109.81 10.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 111.028 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.452 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 4.7 m-85 -80.99 120.89 25.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.564 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 5.2 m-85 -71.28 -58.42 3.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.989 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.95 -56.08 2.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.3 p -81.51 -31.07 33.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 0.752 . . . . 0.0 110.383 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' PHE . 7.6 t-80 74.54 37.84 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.659 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -121.42 177.95 4.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.603 ' OG1' ' CE2' ' A' ' 48' ' ' PHE . 24.6 m -134.11 150.84 51.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 110.412 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -156.77 171.87 19.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.232 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.836 ' C ' HD12 ' A' ' 58' ' ' LEU . 47.3 p90 -97.19 105.3 17.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.904 HD23 ' HB3' ' A' ' 62' ' ' ASP . 8.3 mp -133.46 177.65 7.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.26 -157.17 8.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -75.01 -27.74 9.75 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.482 1.78 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -69.76 -42.87 73.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.904 ' HB3' HD23 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -73.54 -8.65 56.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.533 HD23 ' HA ' ' A' ' 18' ' ' ALA . 15.7 mt -113.06 115.98 29.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.537 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 1.9 m-85 -103.21 142.57 24.85 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.375 1.047 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 64' ' ' PHE . 18.0 Cg_endo -75.02 166.49 29.07 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.539 1.81 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.594 ' CE1' ' CD ' ' A' ' 70' ' ' LYS . 5.9 t80 -81.82 -37.75 26.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.81 -49.97 69.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.235 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -68.85 -33.78 74.38 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.488 1.118 . . . . 0.0 110.34 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.486 ' CB ' ' HA3' ' A' ' 74' ' ' GLY . 0.7 OUTLIER -64.95 -53.6 43.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.977 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.594 ' CD ' ' CE1' ' A' ' 66' ' ' TYR . 3.2 pttm -66.92 -16.28 64.22 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.56 -49.13 61.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.43 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.3 -69.05 0.82 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.611 1.195 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' A' ' 69' ' ' SER . 1.5 m-85 -133.05 -83.52 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 111.009 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.486 ' HA3' ' CB ' ' A' ' 69' ' ' SER . . . 72.33 9.16 72.35 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -113.54 95.53 36.75 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.47 0.747 . . . . 0.0 109.344 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.467 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.3 Cg_endo -75.02 174.01 13.53 Favored 'Trans proline' 0 C--N 1.362 1.249 0 O-C-N 124.541 1.811 . . . . 0.0 111.052 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.526 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 4.1 m-80 -49.6 130.61 20.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.208 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.607 ' CD ' ' CE1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -83.49 87.42 7.0 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.527 1.142 . . . . 0.0 109.381 179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.49 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 25.0 mmt85 -99.98 -174.54 2.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.076 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -49.86 55.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -70.22 -9.15 63.39 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.619 1.2 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.607 ' CE1' ' CD ' ' A' ' 78' ' ' LYS . 1.6 t80 -81.77 -44.58 16.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 0.8 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 22.9 t -67.28 -55.98 11.68 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.592 1.182 . . . . 0.0 109.997 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 5.1 pt-20 -69.41 -23.01 63.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.457 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -74.18 -57.09 4.9 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.973 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -58.52 -27.97 64.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 0.794 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.559 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -86.55 -22.06 26.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -70.66 -24.11 62.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.564 ' HB ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -97.71 -43.79 12.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.463 ' N ' HD13 ' A' ' 89' ' ' ILE . 1.9 mm-40 -74.78 -29.49 61.13 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 0.0 110.348 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.559 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -134.08 68.62 1.48 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 109.441 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.0 p30 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.941 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.567 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 2.7 p90 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.489 0.185 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' CYS . 2.5 mtpp -138.86 -179.99 6.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' LYS . 28.9 p -39.19 136.2 0.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 108.222 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.99 -6.44 81.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -87.02 129.09 35.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.56 ' C ' HD13 ' A' ' 15' ' ' LEU . 2.9 tm? -104.53 130.69 52.45 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.162 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.871 HG23 HD22 ' A' ' 63' ' ' LEU . 1.5 m -148.38 179.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.236 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.522 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -91.25 125.68 36.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.92 ' HB2' ' CD2' ' A' ' 63' ' ' LEU . . . -125.1 135.29 52.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -122.32 149.5 43.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.422 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -131.15 160.84 33.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.89 122.42 12.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.17 -20.32 30.26 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.728 ' OH ' HG23 ' A' ' 52' ' ' THR . 5.5 t80 -111.11 131.92 21.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.951 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.462 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.6 Cg_endo -74.89 155.14 43.46 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.471 1.774 . . . . 0.0 111.052 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -41.08 116.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.664 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.59 ' CZ2' ' HB2' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -123.61 157.33 62.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.6 1.188 . . . . 0.0 107.952 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.523 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -74.99 103.64 1.77 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.687 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -121.76 145.77 47.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -94.28 160.19 14.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.333 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.775 HD13 ' H ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -85.95 147.32 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.15 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.775 ' H ' HD13 ' A' ' 30' ' ' ILE . 3.3 m-20 -156.67 150.51 24.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.88 152.26 18.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.08 117.78 65.51 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 171.35 18.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.42 1.747 . . . . 0.0 111.008 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -145.59 36.08 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.58 -65.79 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.232 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.56 -49.16 77.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.359 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.8 m -137.41 177.08 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.352 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.92 107.62 19.17 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.1 m -68.47 176.45 2.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.044 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 48.4 p -115.67 -173.32 2.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -103.41 -179.92 4.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.9 p30 41.28 59.88 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.37 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.513 ' HE3' ' CD1' ' A' ' 57' ' ' PHE . 4.2 ptmm? -172.48 147.26 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.717 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -127.83 152.35 47.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 31' ' ' ASP . 34.8 tt0 -93.02 130.61 38.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 110.248 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.491 HG11 ' HE1' ' A' ' 49' ' ' PHE . 1.7 t -125.77 139.91 50.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.47 1.106 . . . . 0.0 109.217 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.58 ' CE1' ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -115.84 109.69 18.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 111.076 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.491 ' HE1' HG11 ' A' ' 47' ' ' VAL . 3.5 m-85 -81.18 126.1 31.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.517 ' CG ' ' HB ' ' A' ' 89' ' ' ILE . 9.8 m-85 -77.22 -59.05 2.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.165 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . -38.45 -56.64 1.93 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.728 HG23 ' OH ' ' A' ' 23' ' ' TYR . 23.8 p -81.49 -31.27 32.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.397 0.704 . . . . 0.0 110.352 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.5 t60 74.61 39.14 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.6 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -136.76 154.81 50.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.075 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.58 ' OG1' ' CE1' ' A' ' 48' ' ' PHE . 23.5 m -96.18 151.64 19.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -153.7 150.4 28.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.251 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.771 ' C ' HD12 ' A' ' 58' ' ' LEU . 25.7 m-85 -76.68 109.56 10.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.81 HD23 ' HB3' ' A' ' 62' ' ' ASP . 6.7 mp -141.54 176.99 8.44 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.516 1.135 . . . . 0.0 109.365 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.58 -155.85 6.61 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.454 1.096 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.3 Cg_endo -74.92 -25.18 12.28 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.579 1.831 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.28 -28.85 64.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.81 ' HB3' HD23 ' A' ' 58' ' ' LEU . 15.8 m-20 -96.62 -2.29 45.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.92 ' CD2' ' HB2' ' A' ' 18' ' ' ALA . 11.7 mt -117.55 143.64 45.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.403 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 1.2 t80 -135.91 145.73 53.9 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.487 1.117 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 64' ' ' PHE . 18.3 Cg_endo -74.98 166.16 29.8 Favored 'Trans proline' 0 C--N 1.362 1.259 0 O-C-N 124.474 1.776 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.433 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 5.1 t80 -81.77 -35.47 29.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -50.49 72.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.23 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -68.94 -47.65 65.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.435 ' HB2' ' CA ' ' A' ' 74' ' ' GLY . 5.4 p -59.16 -51.37 70.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.974 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.433 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -68.01 -13.7 62.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -50.91 41.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.28 -67.67 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' SER . 6.1 m-85 -132.55 -85.35 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 111.045 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.435 ' CA ' ' HB2' ' A' ' 69' ' ' SER . . . 71.26 9.9 68.58 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -113.89 95.25 37.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.477 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.3 Cg_endo -75.06 174.94 11.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.546 1.814 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.564 ' H ' ' ND2' ' A' ' 77' ' ' ASN . 1.9 m-80 -49.09 136.48 14.72 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.511 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -90.47 91.48 8.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.098 . . . . 0.0 109.355 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 6.1 mmt180 -100.54 -175.44 2.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.358 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -43.47 78.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.76 -10.61 80.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.42 1.075 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.59 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 3.3 t80 -81.52 -46.5 14.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 0.786 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.1 OUTLIER -66.17 -55.3 16.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.168 . . . . 0.0 110.024 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -69.32 -26.3 64.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.267 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.447 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -69.79 -57.09 7.45 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.933 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.62 -30.43 67.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.633 0.843 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.548 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -82.99 -20.94 34.17 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.51 -24.15 60.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.517 ' HB ' ' CG ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -98.21 -45.05 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.234 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.423 ' N ' HD13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -74.57 -28.59 61.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.342 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.561 ' ND2' ' N ' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -134.48 61.27 1.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.585 1.178 . . . . 0.0 109.225 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.9 p30 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.498 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 2.8 p90 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.523 0.201 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.34 -179.7 5.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.7 t -43.0 142.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 108.194 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.85 -21.87 40.48 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.538 1.149 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.05 138.48 40.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.395 0.703 . . . . 0.0 109.282 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.824 ' O ' HG13 ' A' ' 16' ' ' VAL . 34.2 tp -112.82 141.74 46.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.407 1.067 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.96 HG23 HD22 ' A' ' 63' ' ' LEU . 2.2 m -164.01 178.33 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -92.52 120.15 32.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.585 ' HA ' HD23 ' A' ' 63' ' ' LEU . . . -88.04 147.57 24.92 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.576 1.172 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 6.8 tptm -137.27 118.39 14.43 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.557 ' SD ' HD21 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -134.22 165.56 24.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.68 135.63 51.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.0 6.24 12.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.425 1.078 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.609 ' CE1' ' HB2' ' A' ' 26' ' ' TRP . 15.2 t80 -126.81 115.18 22.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 0.0 110.955 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.574 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -74.91 156.9 43.41 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.479 1.778 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -46.76 117.72 1.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.608 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.609 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -134.03 158.56 75.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.601 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.3 Cg_endo -74.91 103.44 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.532 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -121.54 145.55 47.84 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.477 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -94.85 140.46 29.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.853 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -73.37 141.37 16.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.506 ' O ' ' CB ' ' A' ' 46' ' ' GLN . 5.4 m-20 -144.9 147.52 32.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -96.75 148.55 22.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.305 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.414 ' CG ' ' O ' ' A' ' 33' ' ' MET . 5.6 ptm -77.88 118.48 72.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.179 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 174.06 13.44 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.533 1.807 . . . . 0.0 111.032 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -103.86 29.75 5.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.259 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.17 -63.74 1.37 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.56 -46.54 85.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -143.25 177.06 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.0 144.62 57.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.1 t -96.61 74.38 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.062 . . . . 0.0 110.07 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.512 HG22 ' H ' ' A' ' 42' ' ' ALA . 86.8 m -117.09 174.2 6.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.501 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.512 ' H ' HG22 ' A' ' 41' ' ' THR . . . -100.57 127.84 46.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.419 1.074 . . . . 0.0 109.353 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.3 p30 168.93 -32.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -146.31 144.3 29.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.853 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -104.7 152.19 22.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.506 ' CB ' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -84.32 133.09 34.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.665 HG11 HD12 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -124.64 145.51 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.249 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.6 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -137.42 113.73 10.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.154 . . . . 0.0 110.978 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.414 ' HB2' ' OG1' ' A' ' 52' ' ' THR . 3.7 m-85 -85.7 129.79 34.73 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.551 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 12.8 m-85 -79.85 -60.61 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.06 -57.54 2.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.569 1.168 . . . . 0.0 111.052 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.414 ' OG1' ' HB2' ' A' ' 49' ' ' PHE . 33.9 p -78.94 -28.71 43.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 0.766 . . . . 0.0 110.485 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 70.69 40.71 0.98 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 109.583 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -123.06 165.39 16.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.6 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 1.3 m -123.32 143.24 50.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.407 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.448 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -153.03 -179.69 7.91 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.464 1.103 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.457 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 41.6 p90 -107.49 115.22 29.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.694 HD22 ' CG ' ' A' ' 62' ' ' ASP . 95.2 mt -141.5 176.74 8.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.1 -157.17 8.96 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -29.5 8.14 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.538 1.81 . . . . 0.0 111.053 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -35.03 77.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.694 ' CG ' HD22 ' A' ' 58' ' ' LEU . 2.5 m-20 -86.73 2.0 50.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.377 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.96 HD22 HG23 ' A' ' 16' ' ' VAL . 15.2 mt -121.55 120.76 35.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -112.11 140.45 23.54 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.395 1.059 . . . . 0.0 110.998 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 64' ' ' PHE . 18.3 Cg_endo -75.11 169.69 22.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -82.47 -39.22 22.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -51.26 64.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -47.62 75.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.491 ' CB ' ' HA3' ' A' ' 74' ' ' GLY . 1.2 p -55.91 -50.2 71.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.029 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -11.73 61.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.28 -49.73 53.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.0 -67.6 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 69' ' ' SER . 0.2 OUTLIER -132.83 -75.64 0.49 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.591 1.182 . . . . 0.0 110.995 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.491 ' HA3' ' CB ' ' A' ' 69' ' ' SER . . . 61.06 33.42 83.99 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -129.86 94.65 30.95 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.462 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.6 Cg_endo -74.98 173.74 13.99 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.789 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.507 ' H ' ' ND2' ' A' ' 77' ' ' ASN . 2.4 m-80 -49.93 111.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 109.245 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.406 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -71.15 86.05 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.475 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 24.3 mmt180 -100.59 -175.93 3.05 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.589 1.181 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -65.75 -43.68 88.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.29 -10.64 60.19 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.528 1.142 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.475 ' HB3' ' O ' ' A' ' 79' ' ' ARG . 1.2 t80 -80.52 -50.43 10.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.411 0.713 . . . . 0.0 111.089 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -65.9 -54.08 31.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.964 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -70.71 -16.14 62.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.568 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -78.11 -59.45 2.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.824 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.41 -26.26 63.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.554 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -87.1 -22.54 25.33 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.37 -21.73 61.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.577 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -100.92 -41.57 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.362 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.537 ' N ' HD13 ' A' ' 89' ' ' ILE . 6.1 mm-40 -77.74 -26.91 50.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.389 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.554 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 0.4 OUTLIER -133.53 66.6 1.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 109.291 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.6 p30 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.593 1.183 . . . . 0.0 109.306 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.55 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 4.0 p90 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.47 0.176 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.2 179.44 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.47 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 2.4 t -52.21 149.3 5.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 108.296 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.08 2.39 90.58 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.513 1.133 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -92.81 136.29 33.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.647 0.851 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.831 HD22 ' N ' ' A' ' 16' ' ' VAL . 1.0 OUTLIER -99.79 137.22 38.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.831 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -154.04 177.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.224 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -93.1 116.18 28.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.813 ' HB2' HD11 ' A' ' 63' ' ' LEU . . . -102.63 125.32 49.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.475 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 2.6 tttm -108.69 142.76 38.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.487 ' O ' ' O ' ' A' ' 23' ' ' TYR . 3.0 ttp -130.19 154.02 47.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -56.76 124.76 19.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.59 -19.05 34.69 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.726 ' CE2' ' CD2' ' A' ' 26' ' ' TRP . 2.1 t80 -115.99 134.54 22.73 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.432 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 18.3 Cg_endo -75.02 169.99 21.39 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.026 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.475 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -45.68 121.04 2.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.554 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.726 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -124.3 145.14 47.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.712 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.5 Cg_endo -74.89 106.32 2.25 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.442 1.759 . . . . 0.0 111.061 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.512 ' HB2' ' HA ' ' A' ' 49' ' ' PHE . . . -128.34 157.9 39.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 5.7 ptt180 -99.27 150.99 21.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.801 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -78.72 145.18 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.222 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.511 ' H ' HD13 ' A' ' 30' ' ' ILE . 1.0 OUTLIER -150.99 147.11 26.74 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -106.05 163.09 13.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.369 1.043 . . . . 0.0 110.283 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.73 134.72 75.25 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.999 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 163.8 34.52 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.514 1.797 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -144.04 31.41 1.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.399 1.062 . . . . 0.0 110.375 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.35 -62.89 1.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.05 -56.06 26.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.9 m -137.77 177.17 5.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.03 99.16 8.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.27 -176.74 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.998 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.5 p -117.41 134.48 54.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.66 123.38 28.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.6 p30 171.22 -33.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.51 168.94 10.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.603 1.189 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.801 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -122.17 144.61 48.84 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.395 1.059 . . . . 0.0 111.005 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.63 140.93 31.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.1 t -137.54 132.1 44.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.603 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -109.46 107.46 17.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.042 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.512 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 5.8 m-85 -76.52 119.39 20.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 29' ' ' ARG . 49.0 m-85 -72.8 -31.49 64.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.43 ' HA3' ' NE1' ' A' ' 26' ' ' TRP . . . -59.33 -56.99 22.06 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 111.072 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.3 p -87.79 -23.12 24.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 110.373 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 49' ' ' PHE . 8.4 t-160 72.19 40.21 0.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.405 1.066 . . . . 0.0 109.65 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -133.75 155.45 49.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.426 1.079 . . . . 0.0 110.23 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.603 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 2.3 m -97.48 116.03 28.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.395 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.58 150.19 33.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.618 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 41.0 p90 -86.4 109.66 19.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 0.0 111.025 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.636 HD22 ' CG ' ' A' ' 62' ' ' ASP . 66.5 mt -134.46 176.75 8.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.162 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.08 -162.57 12.38 Favored Glycine 0 CA--C 1.528 0.904 0 O-C-N 124.614 1.197 . . . . 0.0 111.067 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.416 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -75.01 -33.12 4.8 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.419 1.747 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -38.26 87.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.636 ' CG ' HD22 ' A' ' 58' ' ' LEU . 2.3 m-20 -72.05 -10.22 59.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.813 HD11 ' HB2' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -113.98 116.63 29.52 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.407 1.067 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.413 ' HB2' ' NE2' ' A' ' 25' ' ' HIS . 1.5 m-85 -122.3 148.86 53.44 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 167.57 26.75 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.505 1.792 . . . . 0.0 110.962 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.56 ' CE2' ' HD2' ' A' ' 70' ' ' LYS . 8.8 t80 -70.66 -38.09 73.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.169 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.0 -50.23 61.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.563 1.164 . . . . 0.0 110.264 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 71' ' ' GLU . 1.4 mt-10 -65.9 -47.92 73.19 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 74' ' ' GLY . 0.3 OUTLIER -51.99 -53.1 45.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.563 1.164 . . . . 0.0 109.943 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.56 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -62.34 -23.4 66.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 4.1 tt0 -60.84 -44.05 97.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.44 -66.7 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 3.0 p90 -133.09 -52.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 111.037 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 69.72 1.59 31.94 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.531 1.145 . . . . 0.0 111.087 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -133.13 98.22 15.84 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.474 0.749 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.47 11.19 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.059 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.639 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 1.4 m-80 -48.34 117.07 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.612 1.195 . . . . 0.0 109.221 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.673 ' CD ' ' CZ ' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -73.33 75.82 1.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.592 1.182 . . . . 0.0 109.235 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.49 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 13.1 mmt180 -90.75 -173.67 3.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -66.58 -63.4 1.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -61.79 -11.69 31.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.107 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.673 ' CZ ' ' CD ' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -78.52 -38.81 39.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.594 0.82 . . . . 0.0 111.057 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.3 t -74.24 -58.13 3.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.575 1.172 . . . . 0.0 110.066 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 88' ' ' GLU . 4.8 pt-20 -63.64 -30.88 71.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.59 1.181 . . . . 0.0 110.341 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.547 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -68.77 -53.7 18.49 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.578 1.174 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.804 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -61.18 -28.18 68.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.759 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.567 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -87.03 -21.55 26.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 107.921 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' GLU . 5.2 mt-10 -70.19 -27.09 64.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.574 HG21 ' HB2' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -95.21 -43.94 13.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.503 ' N ' HD13 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -73.58 -30.99 63.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.343 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.561 ' ND2' ' CD1' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -133.88 69.33 1.47 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.7 p30 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.56 1.163 . . . . 0.0 109.365 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.541 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 5.0 p90 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.503 0.192 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 14' ' ' ASP . 2.9 mtpt -128.62 173.43 10.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.463 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 0.6 OUTLIER -46.95 141.27 4.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 108.276 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.02 -2.71 88.15 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 7.9 t70 -88.04 141.15 28.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 0.732 . . . . 0.0 109.39 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.902 HD22 ' N ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -103.3 141.51 35.79 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 0.0 109.254 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.902 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -155.25 178.29 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -91.88 116.12 28.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.396 1.06 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.919 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -112.36 131.27 55.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.427 ' HB3' ' ND1' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -120.24 155.39 33.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.35 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.55 164.46 26.58 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -57.03 118.23 4.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.378 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.0 -18.88 29.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.438 1.086 . . . . 0.0 111.041 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.61 ' OH ' HG23 ' A' ' 52' ' ' THR . 4.3 t80 -103.03 132.44 21.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.599 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -75.04 154.59 42.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.489 ' CE1' ' HB2' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -42.92 111.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.638 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.624 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -114.75 153.61 46.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 107.948 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.548 ' HB2' HG21 ' A' ' 89' ' ' ILE . 18.5 Cg_endo -74.96 103.61 1.76 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.55 1.816 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.694 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -123.98 149.71 45.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -92.68 160.51 14.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.728 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -86.65 145.69 7.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.391 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.722 ' H ' HD13 ' A' ' 30' ' ' ILE . 1.0 OUTLIER -156.49 151.23 25.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.155 . . . . 0.0 109.329 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.444 ' O ' ' NE2' ' A' ' 46' ' ' GLN . 1.4 tt0 -90.19 143.15 27.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.419 ' SD ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -73.23 145.22 85.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 111.003 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 33' ' ' MET . 18.2 Cg_endo -75.04 165.1 31.98 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.39 1.732 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -139.12 26.59 2.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.2 -48.31 2.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.13 -47.8 33.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.4 m -143.11 177.27 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.338 1.024 . . . . 0.0 109.316 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.05 157.23 17.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 p -92.96 165.32 12.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.03 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 57.0 p -120.21 -171.9 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.75 133.99 54.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.418 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 3.4 p-10 40.54 82.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.373 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.419 ' O ' ' SD ' ' A' ' 33' ' ' MET . 14.7 tttp -144.91 128.23 16.83 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.728 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -134.56 152.35 51.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 32' ' ' GLU . 5.7 tt0 -91.39 141.54 28.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.174 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.469 HG13 ' HB1' ' A' ' 28' ' ' ALA . 2.1 t -136.16 146.01 29.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.281 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.592 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -118.21 107.37 13.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 111.064 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -77.65 127.97 33.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.562 1.164 . . . . 0.0 111.057 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 20.1 m-85 -81.27 -57.2 3.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.48 -48.49 2.99 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.61 HG23 ' OH ' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -91.18 -30.31 16.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.747 . . . . 0.0 110.366 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 42.9 t60 74.41 38.69 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.611 1.194 . . . . 0.0 109.593 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -131.57 149.17 52.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.259 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.592 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 2.8 m -94.49 112.77 24.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.433 1.083 . . . . 0.0 110.384 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -116.73 147.68 41.79 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.599 1.187 . . . . 0.0 109.285 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 5.1 p90 -84.53 121.96 28.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.91 HD22 ' CG ' ' A' ' 62' ' ' ASP . 82.9 mt -140.91 174.81 10.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.17 . . . . 0.0 109.242 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -116.38 -159.39 11.74 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -38.72 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -62.37 -42.87 99.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.615 1.197 . . . . 0.0 109.304 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.91 ' CG ' HD22 ' A' ' 58' ' ' LEU . 1.9 m-20 -63.56 -24.32 67.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.919 ' CD1' ' HB2' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -98.01 145.46 26.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.391 1.057 . . . . 0.0 109.312 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.489 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -137.98 138.84 24.4 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 110.973 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.401 ' O ' ' CB ' ' A' ' 69' ' ' SER . 17.9 Cg_endo -75.11 173.95 13.62 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.438 1.757 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.503 ' HA ' ' HG ' ' A' ' 69' ' ' SER . 0.5 OUTLIER -80.93 -31.44 35.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.901 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 2.5 tt0 -71.25 -43.94 66.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -75.53 -48.17 23.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.579 1.174 . . . . 0.0 110.199 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.503 ' HG ' ' HA ' ' A' ' 66' ' ' TYR . 87.4 p -55.24 -47.16 75.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -69.75 -23.81 63.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 67' ' ' GLU . 8.9 tt0 -59.69 -43.96 93.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.234 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -93.74 -67.81 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 109.348 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -132.64 -66.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 72.99 0.61 52.74 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.587 1.18 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -128.15 95.37 33.99 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 174.47 12.74 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.462 1.77 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.597 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 4.5 m-80 -49.57 133.01 21.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.548 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -84.27 84.55 7.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.493 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 9.7 mmt-85 -96.57 -174.44 3.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.347 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -68.79 -50.67 48.35 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.445 1.091 . . . . 0.0 109.257 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -71.04 -7.2 62.03 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.417 1.073 . . . . 0.0 110.989 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.624 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 2.0 t80 -82.97 -46.01 13.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.763 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.6 OUTLIER -66.96 -54.53 21.02 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 88' ' ' GLU . 6.5 pt-20 -69.08 -31.86 70.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 110.318 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.575 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -66.23 -52.44 36.25 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.777 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -62.36 -28.16 69.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 0.782 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.581 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -86.28 -20.75 27.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 108.017 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.9 OUTLIER -72.39 -25.81 61.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.768 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -97.55 -41.33 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.568 ' N ' HD13 ' A' ' 89' ' ' ILE . 6.3 mt-10 -76.78 -31.31 56.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.539 ' ND2' ' N ' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -133.4 72.34 1.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.377 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.251 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.547 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 8.4 p90 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.532 0.206 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 12' ' ' CYS . 0.4 OUTLIER -139.51 -179.91 6.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 11' ' ' LYS . 5.6 t -41.35 146.41 0.21 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.123 . . . . 0.0 108.28 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.52 -1.06 88.45 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.558 1.161 . . . . 0.0 111.032 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -88.07 131.03 34.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 0.753 . . . . 0.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.957 HD22 ' N ' ' A' ' 16' ' ' VAL . 0.4 OUTLIER -100.86 135.82 41.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.957 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.01 178.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -91.7 117.97 30.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.528 ' HB2' ' HB3' ' A' ' 28' ' ' ALA . . . -89.27 138.92 31.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.557 1.161 . . . . 0.0 109.22 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 8.0 tptt -132.35 119.53 20.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.569 1.168 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.765 ' SD ' HD21 ' A' ' 58' ' ' LEU . 1.5 ttt -134.42 168.13 19.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -57.14 136.46 56.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.7 9.27 12.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.603 ' CE1' ' HB2' ' A' ' 26' ' ' TRP . 16.4 t80 -128.47 114.62 19.64 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.478 0.752 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.579 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -75.01 156.44 42.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.537 ' CE1' ' HB2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -46.25 116.4 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.337 1.023 . . . . 0.0 109.584 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.613 ' CZ2' ' HB2' ' A' ' 82' ' ' PHE . 0.7 OUTLIER -132.29 159.04 73.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.664 ' HB2' HG21 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.92 102.73 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.477 1.777 . . . . 0.0 111.008 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . . . -122.44 148.8 44.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.55 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 14.3 ttt180 -101.56 138.19 38.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.356 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.563 HD11 ' CD1' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -65.49 149.11 11.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.376 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -150.99 153.49 35.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 109.255 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.45 ' O ' ' NE2' ' A' ' 46' ' ' GLN . 9.8 tt0 -107.35 167.52 9.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.537 1.148 . . . . 0.0 110.361 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.424 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -75.07 137.44 72.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 110.912 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 33' ' ' MET . 18.5 Cg_endo -75.09 167.53 26.76 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.43 1.753 . . . . 0.0 110.972 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -146.07 29.52 1.08 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.49 1.119 . . . . 0.0 110.243 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.16 -57.46 2.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.413 1.07 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.8 -58.49 4.94 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.8 m -136.16 177.16 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 109.358 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.58 76.6 1.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.35 165.79 0.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.3 p -92.09 125.22 36.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.452 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.54 124.01 29.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.2 p30 169.78 -32.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 109.239 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -108.77 177.05 4.89 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.563 ' CD1' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -117.25 152.24 35.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.979 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 31' ' ' ASP . 1.3 tt0 -94.86 135.86 35.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.407 1.067 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.422 HG11 HD12 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -119.74 139.48 46.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.505 1.128 . . . . 0.0 109.377 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.22 103.12 6.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -76.81 121.86 23.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 29' ' ' ARG . 3.0 m-85 -77.22 -59.41 2.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.31 -56.56 2.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.4 p -80.69 -29.52 36.51 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 0.773 . . . . 0.0 110.4 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 74.44 38.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.533 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.04 179.08 4.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.78 161.79 36.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -174.23 179.53 1.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.581 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 42.6 p90 -111.96 105.39 13.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 111.065 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.765 HD21 ' SD ' ' A' ' 20' ' ' MET . 71.4 mt -123.17 177.44 5.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.365 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.2 -157.56 10.6 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.415 1.072 . . . . 0.0 111.054 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -75.05 -43.07 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.95 -43.21 86.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.746 ' CG ' HD22 ' A' ' 58' ' ' LEU . 1.7 m-20 -64.81 -12.03 43.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -112.72 116.66 30.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.5 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -110.87 138.36 21.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 64' ' ' PHE . 18.5 Cg_endo -74.86 170.06 21.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.477 1.777 . . . . 0.0 110.977 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.58 ' CE2' ' HD2' ' A' ' 70' ' ' LYS . 17.3 t80 -82.17 -40.24 22.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 111.065 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.9 -51.92 53.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 110.26 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.21 -47.0 69.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.46 ' HB2' ' CA ' ' A' ' 74' ' ' GLY . 19.7 p -54.9 -50.44 68.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.073 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.58 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -68.94 -15.92 63.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -44.18 74.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -106.38 -68.13 0.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' SER . 8.4 m-85 -133.06 -85.56 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 111.054 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.46 ' CA ' ' HB2' ' A' ' 69' ' ' SER . . . 72.08 18.86 78.13 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.077 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.57 93.75 47.72 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.568 0.805 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.497 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.3 Cg_endo -74.95 173.94 13.63 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.442 1.759 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.496 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 5.0 m-80 -49.27 125.83 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.502 ' HD3' ' CD1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -81.26 86.41 6.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.411 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.52 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 22.5 mmt180 -99.93 -174.76 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 110.279 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -68.26 -47.68 67.08 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.417 1.073 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.64 -7.36 69.06 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.613 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 1.8 t80 -82.39 -47.51 12.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 0.731 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 47.3 t -66.99 -53.48 31.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.441 1.088 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 88' ' ' GLU . 5.7 pt-20 -69.29 -31.39 69.85 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.564 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -66.34 -54.96 20.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 0.0 111.083 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.802 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -59.65 -28.35 67.17 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.41 0.712 . . . . 0.0 109.354 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.605 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -86.24 -21.37 27.45 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.4 OUTLIER -72.14 -24.23 61.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.808 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -99.74 -43.68 11.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.642 ' N ' HD13 ' A' ' 89' ' ' ILE . 10.3 mm-40 -74.32 -30.17 61.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.536 HD22 ' N ' ' A' ' 91' ' ' ASN . 0.4 OUTLIER -132.96 69.9 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.2 p30 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.6 p90 . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.44 0.162 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -136.41 -179.75 5.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 11' ' ' LYS . 29.9 p -40.73 145.71 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 108.327 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.09 -1.24 86.51 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.92 135.34 38.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 0.785 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.599 HD22 ' HG3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -111.87 133.97 53.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.676 HG13 ' N ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -164.2 178.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.676 ' N ' HG13 ' A' ' 16' ' ' VAL . 3.0 m-85 -93.39 108.82 20.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.81 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -89.44 144.63 25.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.482 ' HD3' ' CG ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -115.53 136.93 52.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.469 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -126.26 150.6 48.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 110.98 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.59 124.58 17.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.396 1.06 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.2 -19.23 28.02 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.602 ' OH ' ' CZ2' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -113.71 131.82 22.88 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 110.994 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.1 Cg_endo -74.99 175.34 11.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.505 ' CD2' ' HB2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -43.74 121.18 2.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.606 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.692 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.5 OUTLIER -130.4 144.69 54.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.692 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -75.07 108.22 2.66 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.553 1.817 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.477 ' HB2' ' HA ' ' A' ' 49' ' ' PHE . . . -133.21 158.97 41.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.599 ' HG3' HD22 ' A' ' 15' ' ' LEU . 38.6 ttp180 -102.25 160.37 14.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.585 ' CD1' ' CE1' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -88.24 149.8 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -158.01 150.17 22.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.76 148.1 25.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.71 113.52 23.63 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 111.002 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.88 12.02 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.431 1.753 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -139.26 29.68 2.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.337 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.19 -57.11 2.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.235 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.28 -52.62 45.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 m -139.09 177.06 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.7 128.91 42.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.1 p -104.57 176.95 4.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.937 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.9 p -120.07 -178.72 3.73 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.521 1.138 . . . . 0.0 110.348 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -93.19 179.75 5.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.093 . . . . 0.0 109.227 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.1 p30 40.46 67.33 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.41 141.53 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.367 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.585 ' CE1' ' CD1' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -125.68 150.0 48.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.947 -179.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 31' ' ' ASP . 24.5 tt0 -97.36 133.97 41.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.796 HG11 HD12 ' A' ' 58' ' ' LEU . 1.3 t -126.74 134.2 66.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.555 ' CE1' ' HB ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -108.25 104.35 13.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.477 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 2.6 m-85 -74.45 115.69 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.504 ' HE2' HD21 ' A' ' 15' ' ' LEU . 3.0 m-85 -80.8 -9.82 59.78 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.579 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . -76.2 -57.06 4.12 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.557 1.161 . . . . 0.0 110.963 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 57.6 p -86.54 -14.77 42.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.43 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.8 t60 74.29 37.44 0.59 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.632 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -141.52 160.13 40.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.555 ' HB ' ' CE1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -107.31 135.4 48.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.499 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.97 162.45 30.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.505 ' CG ' ' O ' ' A' ' 57' ' ' PHE . 6.4 p90 -81.36 126.57 31.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.179 . . . . 0.0 111.069 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.829 HD22 ' CG ' ' A' ' 62' ' ' ASP . 87.7 mt -152.2 178.23 9.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.355 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.88 -154.7 8.35 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.391 1.057 . . . . 0.0 111.032 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -41.13 0.7 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.382 1.727 . . . . 0.0 111.02 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.3 tptt -57.94 -48.47 79.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.829 ' CG ' HD22 ' A' ' 58' ' ' LEU . 11.8 m-20 -56.13 -30.72 62.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.603 1.189 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.81 ' CD1' ' HB2' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -91.62 117.58 29.86 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.422 ' HB2' ' NE2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -123.45 137.61 28.78 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.972 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.545 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 18.2 Cg_endo -75.04 169.86 21.68 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.45 1.763 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.523 ' CZ ' ' HD2' ' A' ' 70' ' ' LYS . 6.0 t80 -73.26 -36.19 66.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.7 -48.7 74.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.157 . . . . 0.0 110.321 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.25 -48.13 37.38 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.576 1.172 . . . . 0.0 110.334 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 74' ' ' GLY . 3.2 t -52.07 -51.4 57.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.523 ' HD2' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -65.64 -27.16 68.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -56.31 -41.49 76.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.612 ' HG3' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -102.93 -59.59 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.239 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.612 ' CD2' ' HG3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -127.71 -76.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 82.44 -3.32 82.48 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.65 97.66 15.57 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.763 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.445 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.2 Cg_endo -75.07 175.33 11.39 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.478 1.778 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.659 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 0.9 OUTLIER -48.91 118.95 2.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.589 ' HG3' ' CE1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -72.9 75.85 1.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.085 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.422 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 7.4 mmm180 -96.49 -176.01 3.5 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.41 1.068 . . . . 0.0 110.346 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -64.77 -73.73 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.599 1.187 . . . . 0.0 109.352 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.02 -17.91 4.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.659 ' CD2' ' O ' ' A' ' 77' ' ' ASN . 0.1 OUTLIER -74.01 -35.2 64.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 110.972 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.647 ' O ' HD13 ' A' ' 86' ' ' LEU . 3.7 t -76.47 -57.68 3.72 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 5.3 pt-20 -65.54 -10.22 33.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.556 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -82.76 -64.37 1.68 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.105 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.825 ' C ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.7 -22.99 58.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.677 ' N ' HD13 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -87.53 -28.15 22.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 107.988 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 0.5 OUTLIER -67.11 -23.43 65.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.367 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.796 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -99.26 -43.99 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.658 ' N ' HD13 ' A' ' 89' ' ' ILE . 18.6 mt-10 -70.67 -32.77 70.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.514 ' ND2' ' N ' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -133.3 67.59 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.238 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.6 p30 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.594 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.441 0.162 . . . . 0.0 111.004 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -150.09 179.01 8.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.427 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 1.7 t -41.63 130.09 3.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 108.274 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.95 -14.37 34.22 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.417 1.073 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.8 144.87 25.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.74 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.895 HD22 ' N ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -118.15 140.32 49.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.895 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -155.24 178.76 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.632 ' N ' HG13 ' A' ' 16' ' ' VAL . 47.3 m-85 -91.69 115.28 27.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.772 ' HB2' ' CD2' ' A' ' 63' ' ' LEU . . . -107.09 128.47 54.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.555 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -117.94 143.5 46.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -128.48 160.2 33.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -56.87 119.41 6.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.31 -20.0 43.43 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.407 1.067 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.406 ' O ' ' O ' ' A' ' 20' ' ' MET . 6.1 t80 -112.82 132.14 22.43 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.564 0.803 . . . . 0.0 111.083 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.591 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.1 Cg_endo -75.0 156.96 43.01 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.37 1.721 . . . . 0.0 111.001 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.555 ' CD2' ' HB3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -42.91 111.54 0.27 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.595 1.185 . . . . 0.0 109.582 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.624 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -115.45 158.01 42.63 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.49 1.119 . . . . 0.0 107.99 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.452 ' HB2' HG21 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -74.97 103.13 1.68 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.483 1.781 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.646 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -122.86 147.46 46.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.432 1.082 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.563 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 2.7 ttt180 -94.25 160.25 14.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.361 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.763 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -89.86 144.09 9.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.617 ' H ' HD13 ' A' ' 30' ' ' ILE . 3.1 m-20 -155.85 149.51 25.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -105.96 153.69 21.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.209 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.92 116.67 54.44 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.147 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 158.67 41.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -134.35 42.34 2.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.45 -70.59 0.73 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.51 1.131 . . . . 0.0 109.228 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.37 -40.0 70.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.372 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.3 m -143.21 176.45 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.42 1.075 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.05 133.85 51.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.38 170.98 14.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 p -111.27 171.25 7.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.447 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . -104.01 121.89 44.11 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.564 1.165 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 6.9 m-80 -163.49 -43.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.46 178.02 5.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.763 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -119.66 152.43 37.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.604 1.19 . . . . 0.0 111.046 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.413 ' O ' ' O ' ' A' ' 31' ' ' ASP . 17.1 tt0 -89.73 139.53 30.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.414 ' CG2' HD11 ' A' ' 63' ' ' LEU . 1.4 t -131.7 137.57 54.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.605 1.191 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.577 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -113.7 109.57 18.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.638 1.211 . . . . 0.0 110.953 -179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 53' ' ' HIS . 12.7 m-85 -78.93 117.47 20.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 29' ' ' ARG . 44.8 m-85 -71.54 -58.62 3.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.6 -56.44 2.48 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.403 ' CG2' ' OH ' ' A' ' 23' ' ' TYR . 59.7 p -81.72 -31.19 32.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.388 0.699 . . . . 0.0 110.409 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.2 OUTLIER 74.82 38.0 0.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.64 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -130.7 147.7 52.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 110.367 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.577 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 1.1 m -96.04 115.87 28.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.162 . . . . 0.0 110.4 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -121.17 156.28 32.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.353 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.492 ' O ' ' CG ' ' A' ' 57' ' ' PHE . 9.1 p90 -83.59 126.82 33.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.613 1.196 . . . . 0.0 111.039 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.948 HD22 ' CG ' ' A' ' 62' ' ' ASP . 47.1 mt -150.27 177.53 9.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.075 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.86 -159.67 9.48 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.158 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.4 Cg_endo -74.94 -28.82 8.95 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.557 1.82 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 62' ' ' ASP . 47.6 pttt -69.1 -46.07 68.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.148 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.948 ' CG ' HD22 ' A' ' 58' ' ' LEU . 1.4 m-20 -71.35 -6.95 43.87 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.772 ' CD2' ' HB2' ' A' ' 18' ' ' ALA . 13.8 mt -112.52 141.23 46.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.238 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.72 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -140.27 140.33 23.07 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.388 1.055 . . . . 0.0 110.96 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.488 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 18.4 Cg_endo -75.04 170.55 20.16 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.79 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -79.04 -37.78 38.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -53.15 -50.63 64.17 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -48.1 65.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -56.55 -52.63 64.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.971 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -16.1 63.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.611 1.195 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -56.63 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.607 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -98.36 -66.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.347 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.607 ' CZ ' ' HG2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -132.25 -81.89 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.924 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.417 ' HA3' ' CB ' ' A' ' 69' ' ' SER . . . 70.78 8.59 64.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.414 1.071 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.5 94.17 30.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.464 0.743 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.4 ' HG3' ' O ' ' A' ' 25' ' ' HIS . 18.2 Cg_endo -75.03 174.81 12.15 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.401 1.737 . . . . 0.0 110.956 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.583 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 2.0 m-80 -50.05 139.67 13.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.589 ' CD ' ' CE1' ' A' ' 82' ' ' PHE . 1.6 tppt? -92.35 87.9 6.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.462 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 21.3 mmt180 -99.83 -176.21 3.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.413 1.071 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -43.17 78.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.359 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -75.21 -10.3 84.27 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.59 1.181 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.624 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 3.3 t80 -80.91 -42.68 21.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 111.062 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.1 p -75.2 -55.98 5.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.351 1.032 . . . . 0.0 109.974 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -61.22 -31.04 70.82 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.522 1.139 . . . . 0.0 110.219 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.661 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -72.11 -63.49 2.96 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.407 1.067 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.795 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -44.81 -26.21 0.38 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 0.748 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.693 ' CD1' ' OD1' ' A' ' 91' ' ' ASN . 12.1 t-105 -88.62 -43.03 11.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 108.025 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' GLY . 1.6 tm-20 -51.19 -20.85 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.829 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -100.64 -36.88 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.62 ' N ' HD13 ' A' ' 89' ' ' ILE . 1.5 mt-10 -70.13 -9.78 56.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.693 ' OD1' ' CD1' ' A' ' 87' ' ' TRP . 0.0 OUTLIER -125.75 47.76 2.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.433 ' C ' ' OD1' ' A' ' 92' ' ' ASN . 9.8 p30 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.485 0.183 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.66 159.93 43.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.5 t -45.22 128.49 7.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 108.233 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.44 -20.33 40.07 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.406 1.066 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 15' ' ' LEU . 16.1 t0 -55.86 168.93 0.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.736 HD13 ' O ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -136.1 129.95 32.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.325 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.931 HG22 ' O ' ' A' ' 64' ' ' PHE . 0.3 OUTLIER -151.41 177.53 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.58 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -92.48 114.36 26.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.981 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.658 ' HB2' HD21 ' A' ' 63' ' ' LEU . . . -98.21 144.88 27.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HD3' ' CG ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -123.57 138.23 54.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.367 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.441 ' O ' ' O ' ' A' ' 23' ' ' TYR . 1.4 ttt -131.44 151.69 51.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.586 1.179 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.62 123.6 14.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.579 1.175 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.49 -20.36 27.45 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.496 1.122 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.635 ' CE2' ' CD2' ' A' ' 26' ' ' TRP . 2.0 t80 -112.02 133.15 21.72 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.754 . . . . 0.0 111.042 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.2 Cg_endo -75.04 175.94 10.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.543 1.812 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -51.11 111.18 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.649 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.663 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -118.77 142.46 31.79 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.516 1.135 . . . . 0.0 108.065 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.663 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.1 Cg_endo -75.06 112.02 3.46 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.736 ' O ' HD13 ' A' ' 15' ' ' LEU . . . -125.62 158.03 35.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -98.96 139.98 33.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.342 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.748 HD13 ' H ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -74.98 148.95 7.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 124.634 1.209 . . . . 0.0 109.255 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.748 ' H ' HD13 ' A' ' 30' ' ' ILE . 2.6 m-20 -160.07 153.13 21.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 109.344 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.69 159.53 14.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.23 113.52 22.82 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 110.977 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 172.45 16.34 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.429 1.752 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -144.08 36.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 110.195 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.07 -66.36 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.02 -44.9 87.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.408 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.2 m -143.02 177.07 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.36 129.58 54.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.61 171.82 13.93 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.519 1.137 . . . . 0.0 110.071 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.3 p -115.3 177.3 4.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.46 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.51 130.91 49.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 p30 170.35 -33.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.1 170.91 9.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.47 142.1 47.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.485 ' HG3' ' CG2' ' A' ' 55' ' ' THR . 30.4 tt0 -90.73 114.49 26.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.253 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.7 t -107.26 149.19 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.375 1.047 . . . . 0.0 109.358 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.77 101.8 7.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.441 ' HE1' HD12 ' A' ' 58' ' ' LEU . 3.5 m-30 -70.9 125.14 26.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 111.068 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CE2' ' HB ' ' A' ' 89' ' ' ILE . 15.5 m-85 -74.97 -44.59 47.48 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.454 1.096 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.453 ' HA3' ' NE1' ' A' ' 26' ' ' TRP . . . -47.36 -56.86 7.72 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.44 1.088 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.0 p -85.91 -28.03 24.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 0.799 . . . . 0.0 110.39 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 74.44 38.95 0.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 109.58 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -131.3 155.15 47.68 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.588 1.18 . . . . 0.0 110.346 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.485 ' CG2' ' HG3' ' A' ' 46' ' ' GLN . 1.3 m -94.71 112.75 24.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.37 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.5 137.38 51.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.399 1.062 . . . . 0.0 109.234 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.628 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 44.1 p90 -69.56 108.82 3.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 111.04 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.441 HD12 ' HE1' ' A' ' 49' ' ' PHE . 60.1 mt -132.19 177.54 7.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.82 -160.27 9.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' A' ' 63' ' ' LEU . 17.9 Cg_endo -75.09 -44.63 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.534 1.807 . . . . 0.0 110.976 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -47.1 81.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.64 -19.97 65.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.179 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.823 HD22 ' CG1' ' A' ' 16' ' ' VAL . 15.7 mt -99.34 144.7 28.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.931 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -138.02 143.33 39.18 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 111.048 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 64' ' ' PHE . 18.5 Cg_endo -74.95 167.1 27.82 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.553 ' CE1' ' HG2' ' A' ' 70' ' ' LYS . 1.9 t80 -83.03 -36.33 25.06 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.569 1.168 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -50.63 63.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -63.79 -47.83 79.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.347 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.474 ' CB ' ' HA3' ' A' ' 74' ' ' GLY . 0.9 OUTLIER -60.31 -49.26 78.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.405 1.066 . . . . 0.0 109.978 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.553 ' HG2' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -70.42 -8.81 53.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.45 -46.62 26.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.232 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt -106.03 -68.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 69' ' ' SER . 9.1 m-85 -132.81 -81.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 111.05 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.474 ' HA3' ' CB ' ' A' ' 69' ' ' SER . . . 67.41 26.95 73.49 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.83 90.82 41.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 0.759 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.405 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.3 Cg_endo -74.86 175.24 11.46 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.576 1.829 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.623 ' O ' ' CE2' ' A' ' 82' ' ' PHE . 29.4 m-80 -49.8 172.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -129.57 90.39 2.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -102.01 -176.12 3.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -69.64 -55.34 10.31 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.2 -7.16 43.32 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.51 1.132 . . . . 0.0 111.048 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.623 ' CE2' ' O ' ' A' ' 77' ' ' ASN . 7.0 t80 -83.65 -47.94 10.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 0.737 . . . . 0.0 111.063 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.19 -53.83 43.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.024 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 88' ' ' GLU . 4.8 pt-20 -63.02 -30.76 71.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 110.247 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.446 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -65.56 -60.84 6.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.78 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -55.84 -28.12 54.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.763 . . . . 0.0 109.28 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.564 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -84.36 -23.95 29.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 108.006 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 84' ' ' GLU . 3.9 mm-40 -70.7 -23.05 62.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.247 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.572 ' HB ' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -100.0 -45.23 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.435 ' N ' HD13 ' A' ' 89' ' ' ILE . 12.6 mt-10 -74.61 -27.48 60.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.402 1.064 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.595 HD22 ' N ' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -134.01 58.98 1.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.404 1.065 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 92' ' ' ASN . 7.9 p30 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.228 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.575 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 6.1 p90 . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.507 0.194 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -136.68 -179.43 5.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.181 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.432 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -41.07 142.82 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 108.275 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.52 2.45 76.27 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.568 1.168 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -102.44 127.98 49.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 0.776 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.017 HD22 ' N ' ' A' ' 16' ' ' VAL . 0.2 OUTLIER -108.72 132.06 54.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.017 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -150.27 179.89 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.228 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.466 ' O ' HD13 ' A' ' 63' ' ' LEU . 1.5 m-85 -91.31 121.2 32.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.421 1.075 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.559 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . . . -127.14 141.49 51.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.217 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.56 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -113.17 158.31 20.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.369 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.418 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -130.29 159.1 37.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.32 118.65 5.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.96 -17.92 43.2 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.562 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 2.7 t80 -110.73 137.25 20.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.574 0.808 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.588 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.1 Cg_endo -75.07 156.86 42.72 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.402 1.738 . . . . 0.0 110.973 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.56 ' CD2' ' HB3' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -42.4 111.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.574 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.595 ' CZ2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -116.7 157.1 46.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 107.989 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.599 ' HB2' HG21 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.95 103.82 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.429 1.752 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.559 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -121.86 142.81 49.87 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.458 1.099 . . . . 0.0 109.239 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.3 ttp85 -98.85 140.51 32.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.339 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.432 ' CG2' ' HA ' ' A' ' 12' ' ' CYS . 0.2 OUTLIER -63.26 145.82 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -158.64 145.79 17.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -95.49 158.72 15.33 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.97 113.48 23.62 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 133.22 16.41 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.56 1.821 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -100.8 38.23 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.32 -56.55 2.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.11 -42.34 80.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 m -143.24 171.97 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.29 64.51 0.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.347 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.17 177.8 0.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.574 1.171 . . . . 0.0 109.966 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 42' ' ' ALA . 28.5 m -113.63 171.37 7.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.43 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.427 ' H ' HG22 ' A' ' 41' ' ' THR . . . -103.65 127.75 51.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.6 p30 167.25 -32.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.96 173.02 7.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.902 ' OH ' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -118.8 134.97 54.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.504 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 33.7 tt0 -75.05 115.37 14.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.902 HG23 ' OH ' ' A' ' 45' ' ' TYR . 14.6 p -94.78 136.95 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.448 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -113.94 97.73 6.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.041 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -78.92 122.01 25.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 6.8 m-85 -79.69 -56.53 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -40.13 -55.79 2.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.5 p -78.75 -28.96 44.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 0.804 . . . . 0.0 110.373 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 74.31 37.48 0.58 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.54 1.15 . . . . 0.0 109.582 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -137.49 163.86 30.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.559 1.162 . . . . 0.0 110.247 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.448 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -105.24 159.44 15.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.471 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.563 ' C ' HG12 ' A' ' 47' ' ' VAL . . . -155.61 -179.12 7.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -119.83 101.3 7.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.46 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 50.3 mt -129.02 179.64 5.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.2 -167.78 12.78 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -18.62 18.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 0.0 110.997 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -72.66 -25.46 61.28 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -97.28 2.15 50.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.649 HD23 ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -111.24 137.82 48.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.508 ' CZ ' ' HG2' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -140.14 131.67 14.38 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.489 1.118 . . . . 0.0 110.922 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 169.8 21.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.547 1.814 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -63.66 -36.2 83.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -62.27 -50.65 70.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.261 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.508 ' HG2' ' CZ ' ' A' ' 64' ' ' PHE . 0.6 OUTLIER -68.26 -49.14 62.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.528 ' O ' ' N ' ' A' ' 74' ' ' GLY . 1.4 p -55.76 -53.39 57.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.944 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -18.83 64.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 9.5 tt0 -62.88 -49.97 72.75 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 110.257 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.59 -68.6 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.535 ' CG ' ' N ' ' A' ' 74' ' ' GLY . 4.6 p90 -133.89 -52.92 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.535 ' N ' ' CG ' ' A' ' 73' ' ' PHE . . . 60.5 9.55 13.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.438 1.086 . . . . 0.0 111.039 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -133.83 94.27 19.13 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.54 0.788 . . . . 0.0 109.3 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.402 ' HG3' ' O ' ' A' ' 25' ' ' HIS . 18.1 Cg_endo -75.08 174.88 12.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.463 1.77 . . . . 0.0 110.945 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.516 ' H ' ' ND2' ' A' ' 77' ' ' ASN . 3.8 m-80 -49.06 129.65 17.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.437 ' HG2' ' CE1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -83.1 89.04 6.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.511 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 20.9 mmt85 -100.89 -175.25 2.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.38 -48.27 65.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.33 -7.19 67.32 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.578 1.174 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.595 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 2.2 t80 -82.34 -47.71 12.02 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.554 0.797 . . . . 0.0 111.064 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.4 OUTLIER -66.29 -53.66 34.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.921 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -70.4 -26.65 63.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.568 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -70.47 -55.14 9.04 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.805 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -60.01 -27.62 67.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.572 0.807 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.57 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -86.28 -21.72 27.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 108.006 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.59 -24.57 61.11 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.426 1.079 . . . . 0.0 110.277 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.799 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -98.67 -42.54 11.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.429 1.081 . . . . 0.0 109.244 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.601 ' N ' HD13 ' A' ' 89' ' ' ILE . 3.3 mt-10 -76.99 -29.5 55.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.272 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.547 HD22 ' N ' ' A' ' 91' ' ' ASN . 0.4 OUTLIER -133.26 71.59 1.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.4 p30 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.401 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 7.0 p90 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.493 0.187 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.88 176.4 8.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.7 t -43.48 134.15 4.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 108.257 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.54 -3.03 78.39 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.587 1.179 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -81.97 140.6 33.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.786 HD22 ' H ' ' A' ' 16' ' ' VAL . 1.5 tm? -109.63 142.16 41.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.823 HG23 HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -162.27 177.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.579 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 23.7 m-85 -93.06 112.04 23.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.617 ' HB2' HD21 ' A' ' 63' ' ' LEU . . . -98.94 132.06 44.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 8.2 tttt -108.68 145.04 35.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.447 ' O ' ' O ' ' A' ' 23' ' ' TYR . 2.4 ttt -129.36 153.74 47.58 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.619 1.199 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -56.22 121.92 10.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.46 -19.97 29.39 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.562 ' CE2' ' CD2' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -111.28 134.59 21.08 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.593 0.819 . . . . 0.0 111.024 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.41 ' CB ' HD22 ' A' ' 77' ' ' ASN . 18.0 Cg_endo -74.96 169.65 22.16 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 110.973 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.579 ' CD2' ' HB3' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -44.64 116.17 1.01 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.623 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.72 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.6 OUTLIER -120.43 145.22 40.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.72 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -74.99 108.84 2.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.452 1.764 . . . . 0.0 110.977 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.595 ' O ' HD22 ' A' ' 15' ' ' LEU . . . -129.88 162.44 28.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.499 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 12.1 ptm180 -103.91 156.46 17.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.66 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -82.54 149.69 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.45 ' H ' HD13 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -156.67 150.67 24.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -99.15 152.69 19.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.71 114.08 30.78 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 175.11 11.66 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.513 1.796 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -144.57 31.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.36 -71.43 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.365 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.46 -50.45 67.69 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.564 HG22 ' N ' ' A' ' 39' ' ' LYS . 9.0 p -143.02 170.57 10.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.564 ' N ' HG22 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -109.03 96.59 6.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.89 -176.06 1.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.063 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.9 p -120.03 124.16 45.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.388 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 43' ' ' ASN . . . -49.32 175.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 42' ' ' ALA . 10.2 m-20 80.48 38.15 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.76 160.32 4.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.66 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -125.88 151.97 46.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 111.017 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.482 ' HG3' HG23 ' A' ' 55' ' ' THR . 36.5 tt0 -92.1 129.13 38.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 110.249 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.53 HG22 HD11 ' A' ' 63' ' ' LEU . 1.3 t -126.22 135.14 64.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.379 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.599 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.0 OUTLIER -112.33 105.53 13.84 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.606 1.191 . . . . 0.0 110.957 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.51 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 3.8 m-85 -76.0 118.94 19.29 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.499 ' CE2' ' HB3' ' A' ' 29' ' ' ARG . 51.8 m-85 -71.29 -34.28 70.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.599 1.187 . . . . 0.0 111.073 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.436 ' HA3' ' NE1' ' A' ' 26' ' ' TRP . . . -57.31 -56.94 22.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 42.7 p -87.23 -20.18 27.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 49' ' ' PHE . 27.6 t-80 67.98 40.35 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.621 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.18 158.53 43.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.577 1.173 . . . . 0.0 110.338 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.599 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 1.8 m -99.08 115.81 29.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.464 1.102 . . . . 0.0 110.483 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.94 141.72 47.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -75.42 107.64 7.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.855 HD22 ' CG ' ' A' ' 62' ' ' ASP . 23.3 mt -137.96 172.22 13.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.4 1.062 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.04 -157.7 9.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.445 1.09 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -28.2 9.25 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.554 1.818 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -72.21 -18.07 61.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.855 ' CG ' HD22 ' A' ' 58' ' ' LEU . 1.5 m-20 -105.2 10.79 33.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.226 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.823 HD22 HG23 ' A' ' 16' ' ' VAL . 6.8 mt -135.85 118.58 16.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 0.1 OUTLIER -114.84 146.84 36.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 111.05 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.52 ' HA ' HG12 ' A' ' 16' ' ' VAL . 18.4 Cg_endo -74.97 171.05 19.07 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.388 1.73 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -82.12 -42.1 19.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.18 -51.07 57.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -44.6 80.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.262 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -56.68 -51.55 68.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 110.042 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.463 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -70.54 -12.05 61.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -68.95 -49.69 55.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.14 -67.51 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' SER . 1.3 m-85 -132.37 -82.77 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.03 8.84 79.31 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.573 1.17 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -115.7 96.33 46.13 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.426 0.721 . . . . 0.0 109.265 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 174.71 12.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 110.998 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.634 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 4.1 m-80 -49.44 147.44 3.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.43 85.3 6.13 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.399 1.062 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.9 mmt-85 -99.53 -176.56 3.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.163 . . . . 0.0 110.339 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -69.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -53.86 -17.4 7.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.13 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.634 ' CD2' ' O ' ' A' ' 77' ' ' ASN . 0.6 OUTLIER -75.54 -38.6 59.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 110.993 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.7 -58.29 3.8 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.451 1.094 . . . . 0.0 109.918 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -65.73 -30.31 70.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.428 1.08 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.504 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -67.73 -56.53 10.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.558 1.161 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.802 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.38 -28.79 65.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 0.75 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.598 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -85.39 -21.98 28.59 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -72.04 -24.52 61.55 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.53 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -97.69 -43.58 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 109.36 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.414 ' N ' HD13 ' A' ' 89' ' ' ILE . 3.0 mm-40 -75.09 -27.41 59.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.264 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.564 ' ND2' ' N ' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -134.63 69.81 1.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.612 1.195 . . . . 0.0 109.39 179.91 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.482 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 7.7 p90 . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.515 0.198 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.6 178.82 6.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.4 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 15.3 t -45.67 142.76 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 108.337 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.61 2.24 76.34 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.454 1.096 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -96.24 146.89 24.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 0.746 . . . . 0.0 109.257 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.945 HD12 ' N ' ' A' ' 16' ' ' VAL . 3.7 tp -122.6 140.81 52.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.945 ' N ' HD12 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -161.46 -179.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.68 ' N ' HG13 ' A' ' 16' ' ' VAL . 85.3 m-85 -89.53 119.56 30.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.497 1.123 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.509 ' HA ' HD12 ' A' ' 63' ' ' LEU . . . -97.61 155.47 16.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -144.74 124.89 13.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 109.223 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.842 ' SD ' HD21 ' A' ' 58' ' ' LEU . 16.3 ttp -135.51 166.57 22.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.049 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -55.38 135.06 50.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.82 10.58 19.71 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 111.055 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CE1' ' HB2' ' A' ' 26' ' ' TRP . 14.6 t80 -128.51 115.82 19.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.512 0.772 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.579 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.6 Cg_endo -74.96 157.12 43.13 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.471 ' O ' ' CG ' ' A' ' 76' ' ' PRO . 0.0 OUTLIER -47.41 117.48 1.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.543 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.593 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -134.66 159.32 72.65 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.591 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -74.94 101.51 1.47 Allowed 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.52 1.8 . . . . 0.0 111.011 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.76 139.63 51.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -95.77 139.21 32.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.604 HD11 ' CG ' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -65.74 147.65 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.78 146.04 25.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -89.92 152.72 21.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.83 119.16 74.73 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 171.04 19.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.431 1.753 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -145.32 30.1 1.14 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.51 -60.44 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.47 -59.41 5.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.358 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.7 m -131.84 177.15 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.05 125.31 50.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.16 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.87 171.4 8.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 110.018 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.9 p -97.39 128.06 43.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.421 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.406 ' O ' ' CB ' ' A' ' 43' ' ' ASN . . . -78.29 124.96 28.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.117 . . . . 0.0 109.266 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 42' ' ' ALA . 5.5 p30 163.34 -29.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.58 177.53 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.604 ' CG ' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -122.6 147.35 46.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.357 1.035 . . . . 0.0 110.957 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -94.66 128.98 41.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.345 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.671 HG11 HD12 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -102.45 145.11 12.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.478 ' CZ ' ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -132.67 101.44 5.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 111.154 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.482 ' CZ ' ' CG1' ' A' ' 47' ' ' VAL . 3.7 m-85 -75.21 124.9 27.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.973 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.435 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 2.9 m-85 -78.42 -59.91 2.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.08 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -38.91 -56.3 2.16 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.084 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.8 p -80.85 -30.1 35.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.425 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 74.27 38.69 0.52 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 109.538 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -118.77 169.91 9.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.478 ' OG1' ' CZ ' ' A' ' 48' ' ' PHE . 24.9 m -134.81 146.83 49.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.442 1.088 . . . . 0.0 110.446 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -157.96 -179.8 8.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.716 ' O ' HD23 ' A' ' 58' ' ' LEU . 46.7 p90 -106.31 124.57 49.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 110.966 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.842 HD21 ' SD ' ' A' ' 20' ' ' MET . 43.7 mt -146.4 178.91 7.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -120.77 -156.73 9.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.492 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.3 Cg_endo -75.1 -33.99 4.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.555 1.819 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -57.42 13.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.01 -30.19 14.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.599 ' HG ' HG12 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -91.34 141.67 28.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.401 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 2.5 m-85 -144.2 138.84 15.22 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 111.095 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.534 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 18.1 Cg_endo -75.03 173.98 13.57 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.465 1.771 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -70.65 -39.57 73.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -55.3 -51.74 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.235 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 71' ' ' GLU . 19.7 mt-10 -68.73 -47.65 65.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 74' ' ' GLY . 3.4 m -54.8 -51.88 64.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.081 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -18.56 65.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 0.3 OUTLIER -62.61 -57.33 11.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.192 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.502 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -77.06 -70.09 0.49 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.502 ' CD1' ' HB3' ' A' ' 72' ' ' LYS . 9.6 p90 -131.48 -54.3 1.02 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 68.42 1.35 21.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.89 94.3 28.8 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.529 0.782 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.471 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.6 Cg_endo -74.93 174.42 12.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.771 . . . . 0.0 111.048 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.492 ' H ' ' ND2' ' A' ' 77' ' ' ASN . 4.6 m-80 -48.94 111.3 0.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.583 1.177 . . . . 0.0 109.203 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -69.06 87.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.491 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 25.5 mmt180 -101.14 -175.93 3.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.374 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -67.19 -46.79 72.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.63 -8.97 49.74 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.491 ' HB3' ' O ' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -81.32 -53.43 6.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.992 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.431 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 5.4 t -63.4 -54.08 42.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.937 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 4.3 pt-20 -71.16 -15.12 62.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.562 1.164 . . . . 0.0 110.254 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.475 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -77.73 -61.02 2.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.792 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -57.83 -30.6 65.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.765 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.625 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -82.97 -20.92 34.27 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 2.0 mm-40 -72.56 -24.5 61.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.378 1.049 . . . . 0.0 110.33 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -99.52 -46.85 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.449 ' N ' HD13 ' A' ' 89' ' ' ILE . 42.1 mm-40 -71.15 -29.32 65.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.589 1.18 . . . . 0.0 110.362 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.579 HD22 ' N ' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -133.94 66.86 1.53 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 92' ' ' ASN . 10.5 p-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.545 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 3.6 p90 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.542 0.211 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.19 175.21 10.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.442 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 2.0 t -45.05 123.02 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 108.301 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.28 8.5 46.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -101.23 134.7 43.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.659 HD21 ' HE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -97.36 137.12 36.82 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.451 1.094 . . . . 0.0 109.258 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -158.19 178.13 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.565 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -91.89 132.49 36.44 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.006 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -129.98 130.66 45.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.577 ' HB3' ' CG ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -117.64 152.12 35.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.417 ' O ' ' O ' ' A' ' 23' ' ' TYR . 8.4 ttt -132.2 156.22 46.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.79 119.48 6.26 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.31 -20.49 45.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.417 ' O ' ' O ' ' A' ' 20' ' ' MET . 4.3 t80 -114.05 135.92 22.14 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.441 0.73 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.458 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -75.0 155.17 42.88 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.524 1.802 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.577 ' CG ' ' HB3' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -41.13 116.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.598 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.603 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -120.03 158.29 50.68 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.481 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -75.03 107.32 2.46 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.545 1.813 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.713 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -124.14 156.28 36.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.386 1.054 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.439 ' CG ' ' HB3' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -107.84 148.06 30.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 110.32 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.755 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -71.24 144.51 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.206 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.584 ' H ' HD13 ' A' ' 30' ' ' ILE . 4.5 m-20 -151.47 145.53 25.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -89.91 160.81 16.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.234 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -82.9 121.1 77.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 156.07 43.17 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.549 1.815 . . . . 0.0 111.017 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -121.3 25.68 9.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.12 -77.97 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.83 -31.17 37.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -143.47 177.11 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.443 1.089 . . . . 0.0 109.208 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.481 ' CG ' ' N ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -74.67 -148.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.481 ' N ' ' CG ' ' A' ' 39' ' ' LYS . 34.9 p -145.13 130.72 18.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.044 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.4 m -117.06 167.22 11.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 110.352 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.459 ' O ' ' ND2' ' A' ' 43' ' ' ASN . . . -104.57 178.12 4.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER 38.97 56.73 1.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 1.073 . . . . 0.0 109.377 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.53 137.94 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.755 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -129.01 149.25 50.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.966 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.501 ' OE1' ' CG2' ' A' ' 55' ' ' THR . 0.0 OUTLIER -82.77 135.14 35.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.581 1.175 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.504 HG11 HD12 ' A' ' 58' ' ' LEU . 6.0 t -136.6 125.72 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.409 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.501 ' O ' ' HB1' ' A' ' 28' ' ' ALA . 6.4 t80 -105.79 133.94 49.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 110.963 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -97.88 126.94 43.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.659 ' HE2' HD21 ' A' ' 15' ' ' LEU . 9.5 m-85 -78.46 -60.17 2.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.624 1.203 . . . . 0.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -40.05 -55.23 2.94 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.0 p -80.23 -31.52 38.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.398 0.705 . . . . 0.0 110.47 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 73.29 39.71 0.58 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.574 1.171 . . . . 0.0 109.61 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -133.25 145.21 50.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.227 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.501 ' CG2' ' OE1' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -93.87 121.54 35.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.383 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.33 153.2 47.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.576 ' CG ' ' O ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -87.0 122.86 31.43 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.504 HD12 HG11 ' A' ' 47' ' ' VAL . 82.0 mt -140.87 177.71 7.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.189 . . . . 0.0 109.305 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -120.26 -160.83 11.31 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.3 Cg_endo -75.09 -34.75 3.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.443 1.76 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.84 -42.61 97.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.085 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.449 ' CG ' HD22 ' A' ' 58' ' ' LEU . 2.5 m-20 -64.46 -22.43 66.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.176 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.006 ' CD1' ' HB2' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -100.66 145.53 28.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.453 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -140.67 146.28 43.87 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.952 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.408 ' O ' ' HB3' ' A' ' 69' ' ' SER . 18.3 Cg_endo -75.03 158.38 42.11 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.454 1.765 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.573 ' CE2' ' HD2' ' A' ' 70' ' ' LYS . 8.0 t80 -79.53 -37.97 35.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -54.25 -51.28 65.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -68.85 -39.18 80.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.451 ' HB2' ' CA ' ' A' ' 74' ' ' GLY . 7.0 p -59.44 -51.04 71.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.573 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 1.8 pttm -71.05 -13.99 62.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -69.67 -44.25 70.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.359 1.037 . . . . 0.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -106.43 -68.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.388 1.055 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' SER . 0.6 OUTLIER -132.93 -77.33 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.404 1.065 . . . . 0.0 111.003 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.451 ' CA ' ' HB2' ' A' ' 69' ' ' SER . . . 61.84 26.36 66.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.23 94.17 24.21 Favored Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 124.457 0.739 . . . . 0.0 109.258 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 175.28 11.41 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.474 1.776 . . . . 0.0 110.99 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.587 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 3.2 m-80 -49.09 141.3 8.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -92.94 90.27 6.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 19.9 mmt180 -100.95 -175.99 3.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -68.43 -44.87 74.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.249 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.48 -9.9 78.53 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.458 1.099 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.603 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 3.2 t80 -81.65 -44.02 17.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 0.801 . . . . 0.0 110.95 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.6 t -68.67 -56.22 8.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 109.951 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 4.6 pt-20 -69.42 -21.43 63.75 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.571 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -75.29 -58.2 4.02 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.831 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -57.4 -27.21 62.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.552 ' CD1' ' ND2' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -86.87 -23.38 25.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 108.019 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 1.1 mm-40 -70.36 -22.53 62.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.571 HG22 ' O ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -100.48 -44.4 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.381 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.49 ' N ' HD13 ' A' ' 89' ' ' ILE . 4.9 mm-40 -72.45 -30.44 64.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.243 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.552 ' ND2' ' CD1' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -133.88 69.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.5 p30 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.223 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.532 0.206 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.53 159.81 44.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.3 p -43.71 130.28 5.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 108.313 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.24 7.26 60.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.43 1.081 . . . . 0.0 111.004 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -86.56 150.05 24.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.565 0.803 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.718 HD21 ' HE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -119.24 140.76 49.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.652 HG13 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -162.76 176.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.406 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -92.74 112.41 24.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.765 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -104.84 132.93 50.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 24' ' ' PRO . 12.8 tttt -114.17 141.49 47.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -127.51 156.62 41.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.61 120.26 7.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.86 -17.3 32.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.126 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.687 ' OH ' HG23 ' A' ' 52' ' ' THR . 4.1 t80 -106.94 129.05 24.94 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.523 0.778 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.451 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 18.4 Cg_endo -75.09 157.79 42.22 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.453 1.764 . . . . 0.0 111.053 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.47 ' O ' ' CG ' ' A' ' 76' ' ' PRO . 0.0 OUTLIER -39.42 118.4 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.665 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.624 ' CZ2' ' HB2' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -129.19 155.12 80.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 107.956 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.59 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -74.88 104.12 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.436 1.756 . . . . 0.0 111.071 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.669 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -119.73 149.55 41.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.439 ' HG2' ' N ' ' A' ' 30' ' ' ILE . 15.2 ttm180 -97.51 160.9 14.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.144 . . . . 0.0 110.36 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.471 HG12 ' CE1' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -81.12 142.45 13.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.551 ' OD2' ' CD2' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -152.1 149.29 28.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -104.11 147.89 26.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.217 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -73.59 131.23 82.59 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 111.077 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 170.77 19.69 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 111.078 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -124.29 28.96 6.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.25 -60.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.87 -44.9 94.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.5 m -136.73 177.07 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.54 117.28 34.35 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.607 1.192 . . . . 0.0 109.364 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.1 t -41.22 140.48 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.039 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.1 p -119.91 -171.52 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.349 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.411 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . -89.89 148.65 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.458 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 1.6 p-10 42.12 82.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.223 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.89 117.72 2.98 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.407 1.067 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 1.016 ' OH ' HG23 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -122.0 127.54 50.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 111.052 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.626 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 2.3 tt0 -80.17 133.34 36.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 1.016 HG23 ' OH ' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -122.31 136.44 59.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.551 ' CD2' ' OD2' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -110.64 99.23 8.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -73.78 124.85 26.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.105 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.718 ' HE2' HD21 ' A' ' 15' ' ' LEU . 18.6 m-85 -80.17 -54.0 6.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 111.022 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.51 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . -39.01 -56.15 2.23 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.491 1.119 . . . . 0.0 111.058 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.687 HG23 ' OH ' ' A' ' 23' ' ' TYR . 41.7 p -82.41 -26.99 32.28 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.459 0.741 . . . . 0.0 110.381 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.4 t60 73.57 38.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 109.674 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -138.66 161.41 37.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -94.37 164.55 12.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.418 1.073 . . . . 0.0 110.456 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.442 ' N ' ' CG2' ' A' ' 55' ' ' THR . . . -159.89 -179.86 8.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.559 ' O ' HD23 ' A' ' 58' ' ' LEU . 28.4 p90 -118.07 109.84 16.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 57' ' ' PHE . 83.8 mt -135.95 179.82 6.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.614 1.197 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.62 -157.17 9.84 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.515 1.134 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -41.52 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -58.72 -45.9 88.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.516 ' CG ' HD22 ' A' ' 58' ' ' LEU . 2.3 m-20 -59.32 -15.88 18.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.232 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.765 ' CD1' ' HB2' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -106.66 137.25 45.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.451 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -130.67 144.26 52.7 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.406 ' O ' ' HB3' ' A' ' 69' ' ' SER . 18.6 Cg_endo -75.0 155.65 42.92 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.526 1.803 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.612 ' CE2' ' CD ' ' A' ' 70' ' ' LYS . 7.2 t80 -77.84 -37.39 48.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -54.99 -50.62 68.55 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.491 1.119 . . . . 0.0 110.259 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -45.94 72.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 110.209 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.472 ' HB2' ' CA ' ' A' ' 74' ' ' GLY . 1.2 p -58.23 -49.51 76.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.972 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.612 ' CD ' ' CE2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -67.16 -17.78 65.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.132 . . . . 0.0 109.236 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -69.66 -43.76 71.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -106.98 -69.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.363 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 69' ' ' SER . 6.7 m-85 -132.95 -86.05 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.472 ' CA ' ' HB2' ' A' ' 69' ' ' SER . . . 70.22 11.02 66.84 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.387 1.054 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -112.94 94.58 30.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.551 0.794 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.47 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.3 Cg_endo -74.84 175.2 11.49 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.421 1.748 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.538 ' H ' ' ND2' ' A' ' 77' ' ' ASN . 3.0 m-80 -49.29 133.87 19.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.56 ' HD3' ' CE1' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -87.59 90.91 8.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.46 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 10.1 mmt180 -101.36 -175.4 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.248 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.43 -44.06 75.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.62 -8.91 77.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.403 1.065 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.624 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 3.2 t80 -82.25 -47.76 12.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 22.9 t -66.98 -54.11 25.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.64 -30.28 68.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.226 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.546 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -66.66 -57.08 10.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.794 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.23 -27.39 63.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.584 0.814 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.591 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -86.46 -21.93 26.76 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.517 1.136 . . . . 0.0 108.031 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.69 -23.5 61.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 110.365 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.56 ' HB ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -99.63 -41.14 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.356 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.416 ' N ' HD13 ' A' ' 89' ' ' ILE . 2.6 mt-10 -77.65 -28.02 51.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.563 1.165 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.591 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -134.0 58.66 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.0 p30 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.239 -179.931 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.479 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 3.6 p90 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.6 0.238 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 12' ' ' CYS . 4.3 mtpp -134.43 -179.55 5.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 11' ' ' LYS . 34.7 t -41.43 144.32 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 108.36 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.23 -0.37 75.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.571 1.169 . . . . 0.0 111.003 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.401 ' OD2' ' HB2' ' A' ' 10' ' ' TYR . 10.6 t0 -93.8 139.52 30.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.395 0.703 . . . . 0.0 109.236 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.622 HD13 ' O ' ' A' ' 28' ' ' ALA . 0.3 OUTLIER -113.94 135.85 53.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.611 1.194 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -154.96 178.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.604 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -91.44 109.78 21.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.48 1.113 . . . . 0.0 111.057 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.698 ' HB2' HD21 ' A' ' 63' ' ' LEU . . . -94.42 137.39 33.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.653 1.221 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -123.75 140.52 52.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.136 . . . . 0.0 109.239 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.458 ' O ' ' O ' ' A' ' 23' ' ' TYR . 2.2 ttt -130.34 155.86 45.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -56.71 126.9 28.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.598 1.186 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.64 -16.06 32.91 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.529 ' CE2' ' CE3' ' A' ' 26' ' ' TRP . 2.7 t80 -115.78 130.23 24.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.446 0.733 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.29 29.49 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.604 ' CD2' ' HB3' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -40.48 130.87 2.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.696 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.715 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.4 OUTLIER -140.25 143.27 32.9 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.715 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.5 Cg_endo -75.02 109.65 2.97 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.411 1.743 . . . . 0.0 111.096 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.622 ' O ' HD13 ' A' ' 15' ' ' LEU . . . -130.02 156.53 44.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.595 1.184 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.478 ' HA ' HD13 ' A' ' 15' ' ' LEU . 1.5 ptt180 -97.06 158.31 15.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.632 HD13 ' H ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -92.01 144.05 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.632 ' H ' HD13 ' A' ' 30' ' ' ILE . 54.2 m-20 -155.78 149.54 25.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -97.49 152.44 18.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 110.358 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -74.18 113.49 24.06 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 167.81 26.22 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.382 1.727 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -125.98 31.49 5.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 37' ' ' ALA . . . -89.21 -98.09 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 36' ' ' ALA . . . -39.57 -47.45 1.92 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.594 1.184 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.1 m -131.4 177.04 7.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.17 144.91 34.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.3 t -86.46 147.36 26.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.022 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.6 p -115.66 137.65 51.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.44 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.41 173.41 8.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 59.58 44.9 13.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 109.344 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.06 150.95 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.379 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.46 ' HD2' ' HH ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -129.79 132.25 46.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 31' ' ' ASP . 22.9 tt0 -78.87 139.24 38.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 55' ' ' THR . 3.3 t -131.43 132.49 62.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.584 ' CE1' ' HB ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -107.48 110.3 22.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.978 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.418 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 2.9 m-85 -78.9 124.51 28.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.601 1.188 . . . . 0.0 111.071 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.429 ' HE2' HD11 ' A' ' 15' ' ' LEU . 20.2 m-85 -82.95 -12.12 57.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 111.085 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.533 ' HA3' ' NE1' ' A' ' 26' ' ' TRP . . . -72.51 -57.74 5.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.1 p -90.96 -15.9 28.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 74.6 38.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.087 . . . . 0.0 109.604 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -139.53 156.17 47.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.584 ' HB ' ' CE1' ' A' ' 48' ' ' PHE . 4.9 t -102.94 141.89 34.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.47 1.106 . . . . 0.0 110.437 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.99 159.09 42.96 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.414 1.071 . . . . 0.0 109.366 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.515 ' CG ' ' O ' ' A' ' 57' ' ' PHE . 4.2 p90 -74.92 126.01 30.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.625 1.203 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.763 HD23 ' HB3' ' A' ' 62' ' ' ASP . 4.0 mp -152.25 177.58 10.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -132.76 -162.42 10.25 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.444 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.1 Cg_endo -75.05 -31.51 6.08 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.519 1.8 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -46.46 73.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.763 ' HB3' HD23 ' A' ' 58' ' ' LEU . 2.6 m-20 -66.76 -12.31 58.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.698 HD21 ' HB2' ' A' ' 18' ' ' ALA . 15.5 mt -108.77 116.49 32.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -108.03 148.98 38.52 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.408 ' O ' ' HB3' ' A' ' 69' ' ' SER . 18.2 Cg_endo -75.05 164.65 32.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.511 1.795 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.514 ' CE2' ' HD2' ' A' ' 70' ' ' LYS . 9.3 t80 -81.72 -39.04 24.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -53.19 -51.28 62.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.608 1.193 . . . . 0.0 110.28 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.12 -34.45 76.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.404 1.065 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.468 ' HB2' ' CA ' ' A' ' 74' ' ' GLY . 1.6 p -64.32 -51.98 60.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.445 1.09 . . . . 0.0 109.997 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.514 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 2.1 pttm -68.77 -13.73 62.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.64 -44.2 57.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -106.53 -69.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' SER . 3.2 m-85 -133.12 -84.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.468 ' CA ' ' HB2' ' A' ' 69' ' ' SER . . . 71.6 4.88 59.02 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.433 1.083 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -113.08 95.24 33.85 Favored Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.547 0.793 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.574 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 18.0 Cg_endo -74.98 174.97 11.86 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.439 1.757 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.657 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 25.4 m-80 -49.47 119.04 3.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.478 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -71.52 75.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.466 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 14.7 mmt180 -89.68 -174.8 4.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -65.42 -67.26 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.06 -13.3 26.68 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.496 1.123 . . . . 0.0 110.938 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.657 ' CD2' ' O ' ' A' ' 77' ' ' ASN . 0.4 OUTLIER -75.99 -36.95 59.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 0.795 . . . . 0.0 111.056 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 40.4 t -74.64 -57.64 3.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.04 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 4.7 pt-20 -57.79 -36.06 71.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.098 . . . . 0.0 110.28 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.564 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -67.57 -52.71 28.56 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.989 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -61.21 -29.57 69.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 0.727 . . . . 0.0 109.288 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.572 ' CD1' ' ND2' ' A' ' 91' ' ' ASN . 0.2 OUTLIER -86.59 -22.38 26.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 0.0 107.964 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -68.16 -27.95 66.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.362 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.775 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -95.79 -43.52 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.642 ' N ' HD13 ' A' ' 89' ' ' ILE . 15.8 mm-40 -70.81 -36.2 72.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.213 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.572 ' ND2' ' CD1' ' A' ' 87' ' ' TRP . 0.2 OUTLIER -133.51 72.92 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.969 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 8.1 p90 . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 120.46 0.171 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 14' ' ' ASP . 1.9 mtpp -141.11 -179.86 6.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.336 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.463 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 31.1 p -48.62 143.96 4.69 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.461 1.101 . . . . 0.0 108.301 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.47 -0.41 85.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.555 1.159 . . . . 0.0 111.096 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 15.5 t70 -77.41 152.05 34.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 109.225 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.631 HD13 ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -116.95 127.18 53.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.741 HG23 HD22 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -146.55 176.81 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.642 1.214 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.609 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -93.3 109.81 21.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.556 ' HB2' HD21 ' A' ' 63' ' ' LEU . . . -93.44 130.41 39.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.5 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 3.3 tttm -115.22 141.07 48.52 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.483 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -130.31 153.67 48.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.067 . . . . 0.0 110.98 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -56.1 124.75 18.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.68 -20.97 24.96 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.692 ' CE2' ' CD2' ' A' ' 26' ' ' TRP . 2.5 t80 -113.59 133.85 22.12 Favored Pre-proline 0 C--N 1.328 -0.361 0 O-C-N 124.473 0.749 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.41 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 18.2 Cg_endo -74.98 170.24 20.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.52 1.8 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.609 ' CD2' ' HB3' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -45.12 124.43 4.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.639 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.702 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.4 OUTLIER -129.4 144.11 51.54 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.583 1.177 . . . . 0.0 108.024 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.702 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.3 Cg_endo -74.94 109.32 2.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.518 1.799 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.631 ' O ' HD13 ' A' ' 15' ' ' LEU . . . -130.1 162.09 29.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.483 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 9.0 ttt180 -102.17 154.63 18.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.586 1.179 . . . . 0.0 110.361 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.783 HD11 ' CE2' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -82.49 149.41 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.479 ' H ' HD13 ' A' ' 30' ' ' ILE . 12.8 m-20 -158.9 153.03 23.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -113.54 155.65 25.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.436 ' CE ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -73.21 118.84 72.08 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.464 1.102 . . . . 0.0 111.01 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 176.46 9.88 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 14.6 pt-20 -83.93 46.64 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.8 -54.0 2.36 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.574 1.171 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.65 -28.99 30.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.509 HG21 ' HB2' ' A' ' 42' ' ' ALA . 34.7 m -141.53 178.03 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.593 1.183 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -48.14 -79.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 41' ' ' THR . 1.1 p -146.1 -62.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 109.981 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.466 ' N ' ' OG ' ' A' ' 40' ' ' SER . 4.2 p -103.29 128.91 50.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 110.35 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.509 ' HB2' HG21 ' A' ' 38' ' ' VAL . . . -103.76 177.56 4.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.401 ' ND2' ' N ' ' A' ' 44' ' ' LYS . 1.3 p-10 -87.33 -35.87 18.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.436 ' O ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -92.67 156.0 17.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.783 ' CE2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -98.75 147.64 24.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.434 ' N ' ' HE1' ' A' ' 33' ' ' MET . 18.4 tt0 -96.52 138.41 34.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.464 HG22 HD11 ' A' ' 63' ' ' LEU . 5.6 t -134.0 141.02 45.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.606 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -113.51 103.19 11.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.95 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.525 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 5.2 m-85 -72.4 117.85 14.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.399 1.062 . . . . 0.0 110.946 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.605 ' HE2' HD21 ' A' ' 15' ' ' LEU . 25.6 m-85 -73.15 -32.14 64.7 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.455 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . -56.73 -56.79 22.9 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.556 1.16 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.6 p -90.54 -22.76 21.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 0.738 . . . . 0.0 110.392 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER 73.95 38.82 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 109.585 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -129.24 151.75 49.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.606 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 4.9 m -95.56 112.25 24.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.414 1.071 . . . . 0.0 110.442 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -114.92 137.05 52.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 0.0 109.325 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.562 ' CG ' ' O ' ' A' ' 57' ' ' PHE . 7.2 p90 -72.8 121.53 20.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.972 HD22 ' CG ' ' A' ' 62' ' ' ASP . 31.6 mt -145.12 177.62 8.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.239 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.38 -160.65 10.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.399 1.062 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -74.98 -27.69 9.83 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -33.52 70.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.972 ' CG ' HD22 ' A' ' 58' ' ' LEU . 1.3 m-20 -83.18 -7.06 59.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.741 HD22 HG23 ' A' ' 16' ' ' VAL . 10.8 mt -117.13 116.5 27.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 2.3 m-85 -113.14 136.11 21.77 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.379 1.05 . . . . 0.0 111.038 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 64' ' ' PHE . 18.5 Cg_endo -74.92 154.97 43.3 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.511 1.795 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.414 ' CZ ' ' HD2' ' A' ' 70' ' ' LYS . 9.0 t80 -56.79 -37.98 71.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -49.58 76.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.445 1.091 . . . . 0.0 110.323 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.61 -46.11 55.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 74' ' ' GLY . 0.2 OUTLIER -54.27 -50.42 67.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.414 ' HD2' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -65.17 -27.22 68.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -59.47 -39.97 85.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -98.67 -67.69 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.259 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -132.53 -63.82 0.78 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.494 1.121 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 73.08 0.49 52.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.435 1.084 . . . . 0.0 111.033 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.77 97.36 17.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.347 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.554 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 18.2 Cg_endo -74.95 174.92 11.93 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.783 . . . . 0.0 111.026 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.636 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 0.9 OUTLIER -49.1 120.8 4.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.595 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -72.54 75.04 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.342 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.409 ' N ' ' HB3' ' A' ' 82' ' ' PHE . 19.7 mmt180 -88.22 -175.99 5.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -70.78 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.35 -13.9 11.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.636 ' CD2' ' O ' ' A' ' 77' ' ' ASN . 0.2 OUTLIER -77.81 -33.38 52.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 110.933 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.8 t -77.81 -58.97 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.0 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' A' ' 88' ' ' GLU . 3.1 pt-20 -55.56 -38.36 69.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.39 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.815 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -65.06 -62.06 5.26 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.797 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -50.58 -30.96 14.48 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.421 0.718 . . . . 0.0 109.315 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.612 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -87.39 -27.16 22.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 107.964 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 84' ' ' GLU . 2.0 tm-20 -73.47 -19.58 60.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.088 . . . . 0.0 110.334 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.815 HG22 ' O ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -101.73 -39.65 6.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.465 ' OE1' HD21 ' A' ' 86' ' ' LEU . 17.3 mt-10 -82.57 -25.95 32.82 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.593 HD22 ' N ' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -134.02 66.11 1.56 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.7 p30 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.474 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 11.9 p90 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.451 0.167 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -97.21 173.78 7.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.5 t -52.39 148.14 7.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 108.304 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.97 -10.21 71.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -72.04 149.97 44.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 0.79 . . . . 0.0 109.403 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.622 HD23 ' HA ' ' A' ' 29' ' ' ARG . 0.5 OUTLIER -120.75 131.23 54.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.689 HG13 ' N ' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -150.66 179.84 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.689 ' N ' HG13 ' A' ' 16' ' ' VAL . 23.5 m-85 -91.87 110.7 22.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.84 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -94.82 151.56 19.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.7 137.75 53.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.475 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -124.65 149.11 47.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.528 1.142 . . . . 0.0 110.952 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.85 120.51 8.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.391 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.18 -20.0 46.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.53 ' OH ' ' CE2' ' A' ' 26' ' ' TRP . 0.7 OUTLIER -117.37 133.73 23.19 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.433 0.725 . . . . 0.0 110.977 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 25' ' ' HIS . 18.3 Cg_endo -75.02 173.59 14.24 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.48 1.779 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.514 ' O ' ' CG ' ' A' ' 76' ' ' PRO . 0.1 OUTLIER -39.52 128.96 1.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.59 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.672 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.8 OUTLIER -138.06 152.57 72.18 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 108.05 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.672 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.1 Cg_endo -75.02 103.65 1.77 Allowed 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.591 1.837 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -126.51 143.76 51.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.622 ' HA ' HD23 ' A' ' 15' ' ' LEU . 6.9 ttp180 -91.77 160.27 15.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.808 HD13 ' H ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -89.55 144.05 9.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.808 ' H ' HD13 ' A' ' 30' ' ' ILE . 9.3 m-20 -155.21 145.82 22.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -96.8 170.94 8.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 110.401 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.95 114.03 28.81 Favored Pre-proline 0 C--N 1.323 -0.552 0 O-C-N 124.572 1.17 . . . . 0.0 111.059 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 170.48 20.32 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.454 1.765 . . . . 0.0 110.936 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -148.01 34.64 0.83 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.71 -86.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.077 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.43 14.71 30.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.602 1.189 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.663 HG22 ' H ' ' A' ' 39' ' ' LYS . 5.5 p -143.53 177.55 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.408 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.663 ' H ' HG22 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -109.16 -176.72 3.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.419 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.5 p -123.89 164.51 19.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.493 HG22 ' N ' ' A' ' 42' ' ' ALA . 93.0 m -117.76 173.86 6.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 110.465 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.493 ' N ' HG22 ' A' ' 41' ' ' THR . . . -100.31 158.63 15.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' ALA . 5.5 p30 40.44 72.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.35 145.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.54 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -126.34 152.29 46.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.83 ' OE1' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -91.75 128.82 37.73 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.484 HG11 HD12 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -129.88 118.79 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -97.22 110.6 23.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.059 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -83.75 120.5 26.1 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.492 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 9.1 m-85 -78.36 -31.52 48.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 111.072 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.546 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . -57.32 -56.96 22.29 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 p -82.59 -19.86 37.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 0.792 . . . . 0.0 110.391 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.4 t60 70.38 38.29 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.629 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -140.07 163.15 33.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.223 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.83 HG23 ' OE1' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -96.33 120.3 36.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.338 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -118.75 134.77 54.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.604 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 54.5 p90 -77.59 112.69 14.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.787 HD13 ' HB3' ' A' ' 62' ' ' ASP . 19.6 mt -133.26 177.62 7.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.56 1.162 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.76 -156.12 10.06 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.475 1.11 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 63' ' ' LEU . 17.9 Cg_endo -75.1 -44.62 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.779 . . . . 0.0 111.026 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -49.77 74.53 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.488 1.117 . . . . 0.0 109.229 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.787 ' HB3' HD13 ' A' ' 58' ' ' LEU . 1.6 m-20 -55.06 -21.58 13.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.378 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.84 ' CD1' ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -101.3 126.88 48.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.65 137.22 29.3 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.566 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 18.1 Cg_endo -75.05 173.9 13.71 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.504 1.792 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -73.95 -37.73 64.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -52.54 -50.43 62.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -47.48 52.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.357 1.036 . . . . 0.0 110.274 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 74' ' ' GLY . 4.7 p -55.84 -48.13 76.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -22.55 65.1 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -63.04 -42.54 99.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -97.65 -67.49 0.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.397 1.06 . . . . 0.0 109.38 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -132.75 -66.7 0.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 76.8 -2.44 59.51 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -123.58 96.18 43.86 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.605 0.826 . . . . 0.0 109.344 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.514 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.4 Cg_endo -74.95 174.97 11.85 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.479 1.778 . . . . 0.0 111.06 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.563 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 1.0 OUTLIER -52.3 131.7 33.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.51 ' HG2' ' CE1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -84.84 85.41 7.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.405 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 27.0 mmt85 -97.7 -174.9 3.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 0.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -43.23 79.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.602 1.189 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.57 -7.93 85.79 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.603 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 2.5 t80 -82.68 -48.64 10.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 0.73 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.1 OUTLIER -67.2 -51.95 47.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 88' ' ' GLU . 5.4 pt-20 -69.5 -36.16 76.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.223 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.61 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -63.5 -53.57 37.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.47 1.106 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.777 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -59.65 -28.2 67.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 0.767 . . . . 0.0 109.37 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.532 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -86.62 -20.84 27.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 107.989 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 84' ' ' GLU . 4.9 mt-10 -73.64 -22.88 59.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.788 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -100.15 -42.32 10.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.432 1.082 . . . . 0.0 109.24 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.619 ' N ' HD13 ' A' ' 89' ' ' ILE . 3.9 mt-10 -76.72 -31.62 57.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.211 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.52 ' ND2' ' N ' ' A' ' 91' ' ' ASN . 0.4 OUTLIER -133.13 72.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.227 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.955 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 p90 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.467 0.175 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.04 164.94 34.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.8 t -42.2 119.47 1.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 108.256 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 112.02 -8.08 27.3 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.44 1.088 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -78.67 122.71 26.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 0.736 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.692 ' O ' HG13 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -99.86 141.96 31.98 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.692 HG13 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -164.07 177.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 109.324 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.583 ' O ' ' CE1' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -93.1 109.36 20.84 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.812 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . . . -109.62 128.73 55.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.474 ' CB ' ' HA ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -107.45 161.54 14.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.16 162.79 30.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.33 118.13 5.2 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 0.0 109.382 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.3 -15.56 49.21 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 111.048 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.585 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 2.2 t80 -109.52 135.46 20.33 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.439 0.729 . . . . 0.0 111.043 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.585 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 18.6 Cg_endo -74.96 155.88 43.16 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.583 1.833 . . . . 0.0 111.019 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.583 ' CE1' ' O ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -40.91 117.31 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.565 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.616 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -121.34 157.06 57.02 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.497 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.6 Cg_endo -74.98 103.64 1.76 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.541 1.811 . . . . 0.0 111.073 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.812 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -123.91 151.4 43.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.599 1.187 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.53 ' HB3' HD21 ' A' ' 15' ' ' LEU . 12.6 ptt180 -104.28 150.41 24.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.44 147.95 9.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 109.235 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -160.91 147.51 15.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.12 171.96 7.06 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 110.246 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.544 ' CE ' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER -73.1 132.63 82.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 111.092 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 173.83 13.79 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 111.032 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -150.92 20.99 0.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.356 1.035 . . . . 0.0 110.364 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.34 -75.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.59 -57.14 13.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.1 m -136.16 148.72 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.385 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.428 ' N ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -101.49 80.68 2.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.609 1.193 . . . . 0.0 109.26 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.0 95.71 5.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.593 1.183 . . . . 0.0 109.983 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.544 HG22 ' CE ' ' A' ' 33' ' ' MET . 70.4 p -78.07 121.14 23.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.508 ' HB3' ' CE ' ' A' ' 44' ' ' LYS . . . -104.66 151.29 23.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -86.88 54.08 3.05 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.544 1.153 . . . . 0.0 109.38 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.508 ' CE ' ' HB3' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -153.84 178.22 10.14 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.998 ' OH ' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -109.86 126.74 54.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.485 ' OE1' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -73.77 108.09 6.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.998 HG23 ' OH ' ' A' ' 45' ' ' TYR . 12.2 p -94.35 140.05 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.49 ' HB3' ' CG ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -121.75 98.23 5.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 0.0 110.933 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -74.94 126.12 30.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 110.955 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.585 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 2.2 m-85 -87.73 -55.07 3.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 111.069 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.25 -52.45 2.8 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.457 1.098 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.505 ' CG2' ' OH ' ' A' ' 23' ' ' TYR . 47.9 p -84.56 -26.38 28.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 0.783 . . . . 0.0 110.432 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 74.06 38.43 0.56 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.545 1.153 . . . . 0.0 109.6 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -133.28 164.1 27.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.485 HG23 ' OE1' ' A' ' 46' ' ' GLN . 0.6 OUTLIER -105.71 161.32 14.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.551 ' C ' HG12 ' A' ' 47' ' ' VAL . . . -163.05 -179.66 6.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.455 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 2.6 p90 -122.65 103.76 8.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.937 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.961 HD22 ' CG ' ' A' ' 62' ' ' ASP . 67.4 mt -126.84 178.39 5.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.634 1.209 . . . . 0.0 109.308 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.32 -161.43 11.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -26.59 10.73 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.476 1.777 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -16.72 60.85 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.961 ' CG ' HD22 ' A' ' 58' ' ' LEU . 1.2 m-20 -102.48 5.58 39.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 109.378 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.72 ' CD2' ' HB2' ' A' ' 18' ' ' ALA . 5.0 mt -128.88 126.19 39.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.423 ' CD2' ' HD2' ' A' ' 65' ' ' PRO . 0.2 OUTLIER -124.96 144.64 47.6 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.91 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.423 ' HD2' ' CD2' ' A' ' 64' ' ' PHE . 18.5 Cg_endo -74.92 167.31 27.36 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -79.78 -39.73 30.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.37 -51.33 59.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.519 1.137 . . . . 0.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.59 -47.76 30.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.246 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 73' ' ' PHE . 9.9 m -53.74 -45.83 70.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.929 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -20.2 60.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -60.54 -44.79 95.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.49 ' HE2' ' CD1' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -103.15 -66.66 0.92 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.49 ' CD1' ' HE2' ' A' ' 72' ' ' LYS . 1.4 m-85 -132.09 -82.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.071 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.78 9.5 62.59 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.505 1.128 . . . . 0.0 111.075 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -114.66 94.76 38.21 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 109.229 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 174.86 12.06 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.459 1.768 . . . . 0.0 111.079 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.582 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 0.9 OUTLIER -49.72 127.48 16.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.456 1.097 . . . . 0.0 109.363 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.568 ' HD2' ' CZ ' ' A' ' 82' ' ' PHE . 2.5 mptp? -78.84 86.29 4.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.611 1.194 . . . . 0.0 109.267 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.553 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 13.5 mmt85 -100.96 -174.86 2.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 110.254 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.56 -53.56 22.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.403 1.064 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.69 -5.29 50.51 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.56 1.163 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.616 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 1.8 t80 -81.81 -48.5 11.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 111.054 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.588 ' O ' HD13 ' A' ' 86' ' ' LEU . 30.4 t -68.52 -54.53 16.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.505 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 4.6 pt-20 -70.31 -9.25 55.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.352 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.588 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -82.05 -64.14 1.75 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.509 1.131 . . . . 0.0 110.927 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.807 ' C ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.68 -23.93 60.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 0.789 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.695 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -86.22 -28.87 23.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 108.009 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 1.2 mm-40 -66.75 -24.01 66.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.668 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -100.17 -43.67 11.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.613 ' N ' HD13 ' A' ' 89' ' ' ILE . 1.4 mm-40 -69.85 -26.4 64.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.07 . . . . 0.0 110.332 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.555 ' ND2' ' CD1' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -133.5 61.68 1.67 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.429 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 9.2 p-10 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.422 ' CD2' ' O ' ' A' ' 10' ' ' TYR . 27.6 p90 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.58 0.228 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' CYS . 2.4 ptmt -121.6 -179.95 4.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.45 ' HA ' HG23 ' A' ' 30' ' ' ILE . 4.7 t -41.59 135.96 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 108.349 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.9 1.2 59.95 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.1 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -102.77 127.54 49.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.859 HD22 ' H ' ' A' ' 16' ' ' VAL . 0.9 OUTLIER -97.99 141.72 30.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.859 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -159.95 179.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -90.76 108.89 20.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.589 1.181 . . . . 0.0 110.925 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.92 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . . . -113.33 128.29 56.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.553 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -108.24 163.02 13.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.341 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -132.27 163.59 28.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.65 118.0 4.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.72 -19.12 26.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.605 1.19 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.634 ' OH ' HG23 ' A' ' 52' ' ' THR . 1.4 t80 -103.0 134.48 19.77 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.581 0.813 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.573 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -75.05 157.45 42.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.398 1.736 . . . . 0.0 110.981 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -42.33 111.58 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.671 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.617 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -117.24 158.71 43.89 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 107.92 -179.904 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.456 ' HB2' HG21 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.06 103.13 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.79 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.92 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -122.04 152.02 40.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.09 137.16 43.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.805 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -63.24 142.13 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.585 1.178 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.458 ' H ' HD13 ' A' ' 30' ' ' ILE . 0.7 OUTLIER -150.45 148.88 29.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -107.58 143.0 36.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.612 1.195 . . . . 0.0 110.362 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.524 ' CG ' ' O ' ' A' ' 33' ' ' MET . 11.0 ptp -72.76 118.04 64.69 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.41 1.069 . . . . 0.0 110.959 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.91 11.96 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.616 1.85 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -131.21 36.81 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.251 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.88 -60.67 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.42 -44.25 95.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.571 1.169 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.544 HG22 ' N ' ' A' ' 39' ' ' LYS . 13.7 p -143.36 171.11 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.544 ' N ' HG22 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -109.2 111.36 22.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.5 t -121.4 177.53 5.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.118 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.4 p -118.95 179.83 4.04 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.71 127.7 42.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.9 p30 174.19 -34.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.449 ' HG3' ' CE ' ' A' ' 33' ' ' MET . 32.3 pttt -115.63 178.01 4.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.805 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -132.72 151.95 51.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.422 ' O ' ' O ' ' A' ' 31' ' ' ASP . 9.7 tt0 -96.93 134.21 40.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.8 t -125.93 130.76 72.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.234 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.592 ' CE1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -107.91 98.49 8.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.911 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -72.28 125.46 27.4 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.41 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 3.5 m-85 -88.46 -55.42 3.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 111.018 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.416 ' HA2' ' CA ' ' A' ' 85' ' ' GLY . . . -39.58 -36.85 0.75 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.634 HG23 ' OH ' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -104.06 -26.53 12.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 110.367 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 74.3 36.52 0.65 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.118 . . . . 0.0 109.619 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -127.35 163.4 24.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.592 ' OG1' ' CE1' ' A' ' 48' ' ' PHE . 18.1 m -120.09 135.57 54.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.485 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.82 169.21 17.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.098 . . . . 0.0 109.22 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.541 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 53.5 p90 -92.82 118.08 30.72 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.507 1.129 . . . . 0.0 111.04 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.873 HD22 ' CG ' ' A' ' 62' ' ' ASP . 19.0 mt -144.09 178.21 8.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.7 -166.39 11.75 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.419 1.074 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -17.71 19.44 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.78 -31.03 67.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.873 ' CG ' HD22 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -93.07 -0.38 57.1 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -109.06 135.71 49.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.344 1.027 . . . . 0.0 109.318 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.577 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -132.88 140.43 37.66 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 170.32 20.69 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.439 1.758 . . . . 0.0 111.07 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.588 ' CE2' ' CD ' ' A' ' 70' ' ' LYS . 20.7 t80 -82.59 -42.03 18.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -52.02 -50.89 60.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.265 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.82 -32.93 74.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.389 1.055 . . . . 0.0 110.376 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.491 ' CB ' ' HA3' ' A' ' 74' ' ' GLY . 0.7 OUTLIER -67.61 -52.14 41.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.595 1.184 . . . . 0.0 110.041 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.588 ' CD ' ' CE2' ' A' ' 66' ' ' TYR . 0.4 OUTLIER -68.67 -11.73 60.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -45.54 33.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.367 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -106.23 -69.75 0.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.369 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 69' ' ' SER . 42.1 m-85 -133.37 -82.5 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.942 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.491 ' HA3' ' CB ' ' A' ' 69' ' ' SER . . . 70.8 25.59 75.47 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.92 93.9 22.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 109.209 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 174.92 11.94 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.454 1.765 . . . . 0.0 111.006 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.586 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 3.2 m-80 -49.34 138.93 12.25 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.541 ' HD2' ' CD1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -89.93 88.7 7.42 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.473 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 6.4 mmt180 -100.22 -175.71 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -68.89 -47.03 66.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.593 1.183 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.78 -8.14 71.81 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.439 1.087 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.617 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 2.3 t80 -82.86 -44.12 15.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 0.79 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 4.6 t -69.64 -56.1 8.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.622 1.201 . . . . 0.0 109.975 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 6.6 pt-20 -68.34 -25.87 65.32 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.441 1.088 . . . . 0.0 110.235 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.543 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -72.61 -56.91 5.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.45 1.094 . . . . 0.0 111.069 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.864 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -57.56 -27.47 62.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 0.0 109.26 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.597 ' CD1' ' ND2' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -87.24 -23.55 24.69 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -69.2 -23.76 63.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.543 HG22 ' O ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -99.48 -41.66 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.207 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.504 ' N ' HD13 ' A' ' 89' ' ' ILE . 2.7 mm-40 -74.72 -27.24 60.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 110.251 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.597 ' ND2' ' CD1' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -133.68 60.98 1.69 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.248 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.505 0.193 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.608 ' HB2' ' HB1' ' A' ' 97' ' ' ALA . 4.5 t -179.65 140.57 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -40.1 148.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.09 128.92 56.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.015 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -68.02 151.82 46.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -69.93 -178.5 1.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.496 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -102.17 -82.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -115.56 -26.15 7.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.417 ' N ' ' HG2' ' A' ' 8' ' ' LYS . 1.4 pt-20 -119.83 141.67 49.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.631 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -66.32 142.81 57.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.67 176.26 11.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.2 t -42.69 143.27 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.172 . . . . 0.0 108.285 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.18 -2.86 85.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -86.12 129.66 34.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.262 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -102.9 127.45 50.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.364 1.04 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.717 HG23 HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -145.59 178.63 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.434 1.083 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.461 ' O ' ' NE2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -92.3 114.75 27.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.952 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.781 ' HB2' ' CD2' ' A' ' 63' ' ' LEU . . . -110.99 130.03 55.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' HB3' ' CG ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -111.59 153.94 25.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -130.56 162.1 30.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.96 118.61 5.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.342 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.13 -14.08 51.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -111.32 134.4 21.15 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.772 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.592 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -75.0 155.35 42.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.523 ' CG ' ' HB3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -43.02 111.77 0.3 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.388 1.055 . . . . 0.0 109.577 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.61 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -113.25 157.79 40.03 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.576 1.173 . . . . 0.0 108.015 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 102.88 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.462 1.77 . . . . 0.0 111.063 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.716 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -125.58 147.82 49.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -94.61 160.18 14.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.729 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -87.87 144.61 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.669 ' H ' HD13 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -154.16 150.0 27.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.398 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -92.33 147.97 22.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.149 . . . . 0.0 110.272 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.473 ' CG ' ' O ' ' A' ' 33' ' ' MET . 3.0 ptt? -73.95 113.56 24.37 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 111.051 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 174.77 12.2 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -144.57 41.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.624 1.203 . . . . 0.0 110.224 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.14 -70.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 109.299 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.03 -47.94 79.72 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.349 1.031 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.1 m -138.21 177.14 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.27 103.58 14.58 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.2 m -63.42 175.54 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.055 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.2 p -117.07 -172.17 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.353 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . -100.58 177.61 4.96 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.405 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 5.9 p30 41.33 62.05 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.2 147.26 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.729 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -129.88 152.85 48.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 31' ' ' ASP . 32.0 tt0 -89.67 127.27 35.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.4 t -123.99 134.85 65.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.602 ' CE1' ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -111.31 114.12 27.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 54' ' ' GLU . 5.7 m-85 -86.94 126.29 34.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.438 1.087 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.543 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 17.6 m-85 -78.53 -58.72 3.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.59 -56.23 2.51 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.442 1.088 . . . . 0.0 111.082 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.3 p -79.57 -31.11 41.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.767 . . . . 0.0 110.434 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.7 t60 74.29 39.35 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.641 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 49' ' ' PHE . 7.8 pt-20 -140.19 159.2 42.72 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.602 ' OG1' ' CE1' ' A' ' 48' ' ' PHE . 46.1 m -98.76 148.15 24.17 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.622 1.201 . . . . 0.0 110.407 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -147.37 140.47 25.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -75.12 100.65 4.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.959 HD13 ' HB3' ' A' ' 62' ' ' ASP . 13.2 mt -131.24 172.91 11.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.088 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.07 -157.1 9.37 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.15 . . . . 0.0 110.933 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.12 -24.2 12.86 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.447 1.762 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -72.81 -20.77 61.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.959 ' HB3' HD13 ' A' ' 58' ' ' LEU . 1.2 m-20 -105.11 10.67 33.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.781 ' CD2' ' HB2' ' A' ' 18' ' ' ALA . 7.0 mt -133.92 133.02 40.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -133.8 132.9 21.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 111.021 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.494 ' HA ' HG12 ' A' ' 16' ' ' VAL . 18.0 Cg_endo -74.96 162.81 36.6 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.557 1.819 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.436 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 7.5 t80 -59.14 -41.39 88.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -52.89 -48.47 67.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.252 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.43 -45.6 37.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 74' ' ' GLY . 0.5 OUTLIER -56.03 -51.25 68.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.011 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.436 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -66.18 -25.06 66.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -42.81 91.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.6 -65.77 0.99 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.515 1.134 . . . . 0.0 109.205 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -131.44 -72.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.673 1.233 . . . . 0.0 110.99 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 76.02 2.3 71.29 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.46 94.17 23.34 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.567 0.804 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.425 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.2 Cg_endo -74.94 175.56 11.06 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.435 1.755 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.572 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 2.4 m-80 -48.58 140.0 8.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.14 90.35 6.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.457 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 6.0 mmm180 -100.84 -175.35 2.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 0.0 110.254 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -67.93 -45.92 72.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.13 -10.36 73.53 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.542 1.151 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.61 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 3.2 t80 -82.15 -44.24 16.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 0.727 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.2 OUTLIER -66.56 -55.23 16.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.952 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -69.33 -27.02 65.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 110.209 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.449 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -69.78 -56.39 8.36 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.001 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -58.91 -28.62 66.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 0.804 . . . . 0.0 109.36 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.559 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -85.05 -22.37 29.02 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.67 -24.86 62.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.543 ' HB ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -97.49 -44.31 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.42 ' N ' HD13 ' A' ' 89' ' ' ILE . 15.6 mm-40 -74.95 -28.62 60.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.14 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.559 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -134.22 67.3 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.685 HD21 HG23 ' A' ' 95' ' ' VAL . 4.3 p30 -57.55 154.68 23.47 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -50.34 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.477 1.777 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.475 ' C ' ' OD1' ' A' ' 92' ' ' ASN . 86.0 m -88.43 65.23 7.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.685 HG23 HD21 ' A' ' 92' ' ' ASN . 9.8 p -76.5 176.29 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.589 1.181 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.664 ' H ' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -178.99 -38.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.608 ' HB1' ' HB2' ' A' ' 2' ' ' SER . . . -84.11 134.21 34.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.24 126.22 12.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 109.986 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 174.92 149.96 7.53 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.474 1.109 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.611 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.534 0.785 . . . . 0.0 111.017 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.594 0.235 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.6 149.85 48.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.024 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -87.56 144.78 26.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.259 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.0 p -112.96 126.04 55.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 110.046 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -171.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.501 ' CZ ' ' OD2' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -66.69 -178.38 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.444 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 1.6 pm0 -108.49 -42.12 4.65 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.425 1.078 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.438 ' HD3' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -141.22 -40.8 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.176 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 9.4 pt-20 -59.43 98.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.507 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 2.9 p90 -122.84 128.64 50.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -139.81 -178.74 5.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -40.48 133.96 1.82 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 108.331 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.34 -10.12 65.14 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.44 1.087 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.501 ' OD2' ' CZ ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -82.1 131.69 35.24 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.691 ' O ' HG13 ' A' ' 16' ' ' VAL . 0.6 OUTLIER -102.93 143.81 32.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.691 HG13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -161.97 176.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.549 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -93.97 117.38 30.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.994 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.533 ' HA ' HD23 ' A' ' 63' ' ' LEU . . . -89.6 134.62 34.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.331 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.516 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 4.1 tptt -124.61 121.65 35.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.591 1.182 . . . . 0.0 109.356 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.644 ' SD ' HD11 ' A' ' 58' ' ' LEU . 1.1 ttp -131.27 155.89 46.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.948 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -56.96 123.46 15.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.46 -18.95 30.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.539 1.149 . . . . 0.0 111.081 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 26' ' ' TRP . 25.1 t80 -110.62 122.32 38.68 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.472 0.748 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.511 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -75.0 156.92 43.0 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -41.68 114.22 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.552 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.58 ' CZ2' ' HB2' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -126.29 153.28 74.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 108.044 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.512 ' HB2' HG21 ' A' ' 89' ' ' ILE . 18.1 Cg_endo -75.06 102.87 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.401 1.738 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.532 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . . . -121.74 148.35 44.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.405 1.065 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.59 ' HA ' HD13 ' A' ' 15' ' ' LEU . 11.5 ptt180 -96.19 153.96 17.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.603 1.189 . . . . 0.0 110.21 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.953 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -80.55 146.2 7.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 109.18 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.477 ' H ' HD13 ' A' ' 30' ' ' ILE . 1.3 m-20 -148.42 152.24 36.63 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.232 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -108.61 154.03 22.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.9 mmm -82.27 115.34 57.25 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.591 1.182 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 169.2 23.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -142.48 33.46 1.46 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 110.339 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -99.66 -70.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.67 -44.98 66.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.372 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.3 m -142.63 162.37 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.78 102.91 12.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.248 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 m -107.82 168.04 9.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.971 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.1 p -86.32 124.13 32.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.113 . . . . 0.0 110.406 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.92 122.29 28.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -163.01 -43.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.58 1.175 . . . . 0.0 109.353 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.47 178.69 4.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.953 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -111.77 152.3 27.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.47 ' HB3' ' CB ' ' A' ' 31' ' ' ASP . 1.8 tt0 -89.16 138.33 31.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.4 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.483 ' O ' HG23 ' A' ' 55' ' ' THR . 0.4 OUTLIER -128.38 140.54 48.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.393 1.058 . . . . 0.0 109.348 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.603 ' CE2' ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -131.83 109.81 10.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 111.028 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.452 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 4.7 m-85 -80.99 120.89 25.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.564 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 5.2 m-85 -71.28 -58.42 3.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.989 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.95 -56.08 2.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.3 p -81.51 -31.07 33.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 0.752 . . . . 0.0 110.383 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' PHE . 7.6 t-80 74.54 37.84 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.659 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -121.42 177.95 4.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.603 ' OG1' ' CE2' ' A' ' 48' ' ' PHE . 24.6 m -134.11 150.84 51.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 110.412 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -156.77 171.87 19.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.232 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.836 ' C ' HD12 ' A' ' 58' ' ' LEU . 47.3 p90 -97.19 105.3 17.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.904 HD23 ' HB3' ' A' ' 62' ' ' ASP . 8.3 mp -133.46 177.65 7.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.26 -157.17 8.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -75.01 -27.74 9.75 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.482 1.78 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -69.76 -42.87 73.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.904 ' HB3' HD23 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -73.54 -8.65 56.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.533 HD23 ' HA ' ' A' ' 18' ' ' ALA . 15.7 mt -113.06 115.98 29.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.537 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 1.9 m-85 -103.21 142.57 24.85 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.375 1.047 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 64' ' ' PHE . 18.0 Cg_endo -75.02 166.49 29.07 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.539 1.81 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.594 ' CE1' ' CD ' ' A' ' 70' ' ' LYS . 5.9 t80 -81.82 -37.75 26.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.81 -49.97 69.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.235 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -68.85 -33.78 74.38 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.488 1.118 . . . . 0.0 110.34 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.486 ' CB ' ' HA3' ' A' ' 74' ' ' GLY . 0.7 OUTLIER -64.95 -53.6 43.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.977 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.594 ' CD ' ' CE1' ' A' ' 66' ' ' TYR . 3.2 pttm -66.92 -16.28 64.22 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.56 -49.13 61.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.43 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.3 -69.05 0.82 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.611 1.195 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' A' ' 69' ' ' SER . 1.5 m-85 -133.05 -83.52 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 111.009 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.486 ' HA3' ' CB ' ' A' ' 69' ' ' SER . . . 72.33 9.16 72.35 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -113.54 95.53 36.75 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.47 0.747 . . . . 0.0 109.344 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.467 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.3 Cg_endo -75.02 174.01 13.53 Favored 'Trans proline' 0 C--N 1.362 1.249 0 O-C-N 124.541 1.811 . . . . 0.0 111.052 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.526 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 4.1 m-80 -49.6 130.61 20.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.208 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.607 ' CD ' ' CE1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -83.49 87.42 7.0 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.527 1.142 . . . . 0.0 109.381 179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.49 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 25.0 mmt85 -99.98 -174.54 2.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.076 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -49.86 55.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -70.22 -9.15 63.39 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.619 1.2 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.607 ' CE1' ' CD ' ' A' ' 78' ' ' LYS . 1.6 t80 -81.77 -44.58 16.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 0.8 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 22.9 t -67.28 -55.98 11.68 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.592 1.182 . . . . 0.0 109.997 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 5.1 pt-20 -69.41 -23.01 63.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.457 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -74.18 -57.09 4.9 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.973 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -58.52 -27.97 64.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 0.794 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.559 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -86.55 -22.06 26.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -70.66 -24.11 62.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.564 ' HB ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -97.71 -43.79 12.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.463 ' N ' HD13 ' A' ' 89' ' ' ILE . 1.9 mm-40 -74.78 -29.49 61.13 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 0.0 110.348 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.559 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -134.08 68.62 1.48 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 109.441 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.625 ' ND2' HG23 ' A' ' 95' ' ' VAL . 10.0 p30 -70.05 130.83 89.4 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -33.85 4.3 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.808 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 94' ' ' THR . 7.0 t -125.84 86.85 2.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.387 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.711 HG22 ' H ' ' A' ' 96' ' ' LYS . 3.8 p -76.07 -177.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.381 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.711 ' H ' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -171.53 -43.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.414 ' HB2' ' HD2' ' A' ' 96' ' ' LYS . . . -82.56 108.07 15.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.234 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 m 62.64 160.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 110.008 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -107.9 -158.86 20.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.592 1.183 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.609 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.497 0.763 . . . . 0.0 111.036 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.448 0.166 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.9 p -142.55 143.7 32.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.133 . . . . 0.0 110.034 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.91 159.51 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.01 115.71 30.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.979 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -103.7 169.52 8.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 109.271 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.493 ' CZ ' ' OD2' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -73.84 -177.72 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 110.282 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.427 ' CG ' ' HD3' ' A' ' 8' ' ' LYS . 1.8 pm0 -109.41 -41.19 4.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.427 ' HD3' ' CG ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -141.12 -40.9 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.471 ' CG ' ' HB2' ' A' ' 6' ' ' ARG . 14.2 pt-20 -58.34 97.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.567 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 2.7 p90 -119.29 124.09 45.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' CYS . 2.5 mtpp -138.86 -179.99 6.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' LYS . 28.9 p -39.19 136.2 0.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 108.222 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.99 -6.44 81.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.493 ' OD2' ' CZ ' ' A' ' 6' ' ' ARG . 1.2 t70 -87.02 129.09 35.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.56 ' C ' HD13 ' A' ' 15' ' ' LEU . 2.9 tm? -104.53 130.69 52.45 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.162 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.871 HG23 HD22 ' A' ' 63' ' ' LEU . 1.5 m -148.38 179.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.236 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.522 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -91.25 125.68 36.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.92 ' HB2' ' CD2' ' A' ' 63' ' ' LEU . . . -125.1 135.29 52.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -122.32 149.5 43.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.422 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -131.15 160.84 33.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.89 122.42 12.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.17 -20.32 30.26 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.728 ' OH ' HG23 ' A' ' 52' ' ' THR . 5.5 t80 -111.11 131.92 21.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.951 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.462 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.6 Cg_endo -74.89 155.14 43.46 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.471 1.774 . . . . 0.0 111.052 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -41.08 116.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.664 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.59 ' CZ2' ' HB2' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -123.61 157.33 62.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.6 1.188 . . . . 0.0 107.952 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.523 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -74.99 103.64 1.77 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.687 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -121.76 145.77 47.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -94.28 160.19 14.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.333 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.775 HD13 ' H ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -85.95 147.32 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.15 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.775 ' H ' HD13 ' A' ' 30' ' ' ILE . 3.3 m-20 -156.67 150.51 24.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.88 152.26 18.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.08 117.78 65.51 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 171.35 18.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.42 1.747 . . . . 0.0 111.008 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -145.59 36.08 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.58 -65.79 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.232 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.56 -49.16 77.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.359 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.8 m -137.41 177.08 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.352 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.92 107.62 19.17 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.1 m -68.47 176.45 2.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.044 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 48.4 p -115.67 -173.32 2.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -103.41 -179.92 4.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.9 p30 41.28 59.88 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.37 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.513 ' HE3' ' CD1' ' A' ' 57' ' ' PHE . 4.2 ptmm? -172.48 147.26 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.717 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -127.83 152.35 47.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 31' ' ' ASP . 34.8 tt0 -93.02 130.61 38.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 110.248 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.491 HG11 ' HE1' ' A' ' 49' ' ' PHE . 1.7 t -125.77 139.91 50.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.47 1.106 . . . . 0.0 109.217 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.58 ' CE1' ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -115.84 109.69 18.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 111.076 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.491 ' HE1' HG11 ' A' ' 47' ' ' VAL . 3.5 m-85 -81.18 126.1 31.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.517 ' CG ' ' HB ' ' A' ' 89' ' ' ILE . 9.8 m-85 -77.22 -59.05 2.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.165 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . -38.45 -56.64 1.93 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.728 HG23 ' OH ' ' A' ' 23' ' ' TYR . 23.8 p -81.49 -31.27 32.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.397 0.704 . . . . 0.0 110.352 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.5 t60 74.61 39.14 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.6 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -136.76 154.81 50.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.075 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.58 ' OG1' ' CE1' ' A' ' 48' ' ' PHE . 23.5 m -96.18 151.64 19.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -153.7 150.4 28.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.251 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.771 ' C ' HD12 ' A' ' 58' ' ' LEU . 25.7 m-85 -76.68 109.56 10.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.81 HD23 ' HB3' ' A' ' 62' ' ' ASP . 6.7 mp -141.54 176.99 8.44 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.516 1.135 . . . . 0.0 109.365 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.58 -155.85 6.61 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.454 1.096 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.3 Cg_endo -74.92 -25.18 12.28 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.579 1.831 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.28 -28.85 64.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.81 ' HB3' HD23 ' A' ' 58' ' ' LEU . 15.8 m-20 -96.62 -2.29 45.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.92 ' CD2' ' HB2' ' A' ' 18' ' ' ALA . 11.7 mt -117.55 143.64 45.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.403 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 1.2 t80 -135.91 145.73 53.9 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.487 1.117 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 64' ' ' PHE . 18.3 Cg_endo -74.98 166.16 29.8 Favored 'Trans proline' 0 C--N 1.362 1.259 0 O-C-N 124.474 1.776 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.433 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 5.1 t80 -81.77 -35.47 29.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -50.49 72.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.23 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -68.94 -47.65 65.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.435 ' HB2' ' CA ' ' A' ' 74' ' ' GLY . 5.4 p -59.16 -51.37 70.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.974 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.433 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -68.01 -13.7 62.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -50.91 41.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.28 -67.67 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' SER . 6.1 m-85 -132.55 -85.35 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 111.045 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.435 ' CA ' ' HB2' ' A' ' 69' ' ' SER . . . 71.26 9.9 68.58 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -113.89 95.25 37.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.477 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.3 Cg_endo -75.06 174.94 11.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.546 1.814 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.564 ' H ' ' ND2' ' A' ' 77' ' ' ASN . 1.9 m-80 -49.09 136.48 14.72 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.511 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -90.47 91.48 8.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.098 . . . . 0.0 109.355 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 6.1 mmt180 -100.54 -175.44 2.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.358 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -43.47 78.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.76 -10.61 80.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.42 1.075 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.59 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 3.3 t80 -81.52 -46.5 14.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 0.786 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.1 OUTLIER -66.17 -55.3 16.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.168 . . . . 0.0 110.024 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -69.32 -26.3 64.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.267 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.447 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -69.79 -57.09 7.45 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.933 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.62 -30.43 67.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.633 0.843 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.548 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -82.99 -20.94 34.17 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.51 -24.15 60.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.517 ' HB ' ' CG ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -98.21 -45.05 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.234 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.423 ' N ' HD13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -74.57 -28.59 61.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.342 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.561 ' ND2' ' N ' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -134.48 61.27 1.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.585 1.178 . . . . 0.0 109.225 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.814 HD21 HG23 ' A' ' 95' ' ' VAL . 6.9 p30 -63.42 146.64 96.2 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -32.55 5.22 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.494 1.786 . . . . 0.0 111.068 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.681 HG23 ' O ' ' A' ' 94' ' ' THR . 13.4 t -126.84 92.88 3.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.412 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.814 HG23 HD21 ' A' ' 92' ' ' ASN . 1.9 p -81.41 -173.67 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.701 ' H ' HG22 ' A' ' 95' ' ' VAL . 12.3 pttt 179.7 -36.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -45.36 120.92 2.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.3 p -40.77 140.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 110.023 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 131.19 -74.85 0.43 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.547 1.155 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.614 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.475 0.75 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.516 0.198 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.65 153.1 51.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 ptt85 -99.37 146.14 26.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.158 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.6 m -94.83 138.88 32.05 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.568 1.167 . . . . 0.0 109.942 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -105.02 -179.98 4.1 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.387 1.055 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -83.79 -178.76 7.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.495 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 1.6 pm0 -108.98 -41.86 4.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.431 ' HD3' ' CG ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -140.6 -38.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 14.4 pt-20 -67.04 103.22 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.07 . . . . 0.0 110.26 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.498 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 2.8 p90 -141.02 127.72 20.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.634 1.209 . . . . 0.0 111.036 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.34 -179.7 5.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.7 t -43.0 142.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 108.194 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.85 -21.87 40.48 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.538 1.149 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.5 ' OD2' ' CZ ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -76.05 138.48 40.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.395 0.703 . . . . 0.0 109.282 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.824 ' O ' HG13 ' A' ' 16' ' ' VAL . 34.2 tp -112.82 141.74 46.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.407 1.067 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.96 HG23 HD22 ' A' ' 63' ' ' LEU . 2.2 m -164.01 178.33 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -92.52 120.15 32.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.585 ' HA ' HD23 ' A' ' 63' ' ' LEU . . . -88.04 147.57 24.92 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.576 1.172 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 6.8 tptm -137.27 118.39 14.43 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.557 ' SD ' HD21 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -134.22 165.56 24.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.68 135.63 51.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.0 6.24 12.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.425 1.078 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.609 ' CE1' ' HB2' ' A' ' 26' ' ' TRP . 15.2 t80 -126.81 115.18 22.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 0.0 110.955 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.574 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -74.91 156.9 43.41 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.479 1.778 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -46.76 117.72 1.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.608 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.609 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -134.03 158.56 75.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.601 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.3 Cg_endo -74.91 103.44 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.532 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -121.54 145.55 47.84 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.477 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -94.85 140.46 29.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.853 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -73.37 141.37 16.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.506 ' O ' ' CB ' ' A' ' 46' ' ' GLN . 5.4 m-20 -144.9 147.52 32.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -96.75 148.55 22.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.305 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.414 ' CG ' ' O ' ' A' ' 33' ' ' MET . 5.6 ptm -77.88 118.48 72.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.179 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 174.06 13.44 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.533 1.807 . . . . 0.0 111.032 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -103.86 29.75 5.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.259 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.17 -63.74 1.37 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.56 -46.54 85.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -143.25 177.06 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.0 144.62 57.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.1 t -96.61 74.38 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.062 . . . . 0.0 110.07 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.512 HG22 ' H ' ' A' ' 42' ' ' ALA . 86.8 m -117.09 174.2 6.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.501 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.512 ' H ' HG22 ' A' ' 41' ' ' THR . . . -100.57 127.84 46.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.419 1.074 . . . . 0.0 109.353 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.3 p30 168.93 -32.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -146.31 144.3 29.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.853 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -104.7 152.19 22.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.506 ' CB ' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -84.32 133.09 34.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.665 HG11 HD12 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -124.64 145.51 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.249 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.6 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -137.42 113.73 10.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.154 . . . . 0.0 110.978 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.414 ' HB2' ' OG1' ' A' ' 52' ' ' THR . 3.7 m-85 -85.7 129.79 34.73 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.551 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 12.8 m-85 -79.85 -60.61 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.06 -57.54 2.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.569 1.168 . . . . 0.0 111.052 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.414 ' OG1' ' HB2' ' A' ' 49' ' ' PHE . 33.9 p -78.94 -28.71 43.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 0.766 . . . . 0.0 110.485 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 70.69 40.71 0.98 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 109.583 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -123.06 165.39 16.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.6 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 1.3 m -123.32 143.24 50.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.407 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.448 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -153.03 -179.69 7.91 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.464 1.103 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.457 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 41.6 p90 -107.49 115.22 29.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.694 HD22 ' CG ' ' A' ' 62' ' ' ASP . 95.2 mt -141.5 176.74 8.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.1 -157.17 8.96 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -29.5 8.14 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.538 1.81 . . . . 0.0 111.053 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -35.03 77.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.694 ' CG ' HD22 ' A' ' 58' ' ' LEU . 2.5 m-20 -86.73 2.0 50.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.377 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.96 HD22 HG23 ' A' ' 16' ' ' VAL . 15.2 mt -121.55 120.76 35.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -112.11 140.45 23.54 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.395 1.059 . . . . 0.0 110.998 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 64' ' ' PHE . 18.3 Cg_endo -75.11 169.69 22.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -82.47 -39.22 22.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -51.26 64.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -47.62 75.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.491 ' CB ' ' HA3' ' A' ' 74' ' ' GLY . 1.2 p -55.91 -50.2 71.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.029 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -11.73 61.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.28 -49.73 53.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.0 -67.6 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 69' ' ' SER . 0.2 OUTLIER -132.83 -75.64 0.49 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.591 1.182 . . . . 0.0 110.995 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.491 ' HA3' ' CB ' ' A' ' 69' ' ' SER . . . 61.06 33.42 83.99 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -129.86 94.65 30.95 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.462 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.6 Cg_endo -74.98 173.74 13.99 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.789 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.507 ' H ' ' ND2' ' A' ' 77' ' ' ASN . 2.4 m-80 -49.93 111.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 109.245 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.406 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -71.15 86.05 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.475 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 24.3 mmt180 -100.59 -175.93 3.05 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.589 1.181 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -65.75 -43.68 88.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.29 -10.64 60.19 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.528 1.142 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.475 ' HB3' ' O ' ' A' ' 79' ' ' ARG . 1.2 t80 -80.52 -50.43 10.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.411 0.713 . . . . 0.0 111.089 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -65.9 -54.08 31.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.964 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -70.71 -16.14 62.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.568 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -78.11 -59.45 2.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.824 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.41 -26.26 63.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.554 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -87.1 -22.54 25.33 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.37 -21.73 61.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.577 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -100.92 -41.57 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.362 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.537 ' N ' HD13 ' A' ' 89' ' ' ILE . 6.1 mm-40 -77.74 -26.91 50.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.389 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.554 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 0.4 OUTLIER -133.53 66.6 1.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 109.291 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.411 ' ND2' ' HB ' ' A' ' 95' ' ' VAL . 8.6 p30 -67.15 140.96 95.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.593 1.183 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.85 -41.62 0.68 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.543 1.812 . . . . 0.0 111.069 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.502 ' O ' HG22 ' A' ' 94' ' ' THR . 1.8 m -142.64 79.27 1.65 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.411 ' HB ' ' ND2' ' A' ' 92' ' ' ASN . 3.6 p -56.53 98.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -35.18 79.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -150.27 106.01 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.322 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.76 164.63 16.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.973 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -71.65 -72.04 0.97 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.949 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.608 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.409 0 O-C-N 124.499 0.764 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mtm . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.448 0.166 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 p -169.89 125.49 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.958 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.82 165.32 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.593 1.183 . . . . 0.0 110.214 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m -110.8 137.76 48.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.614 1.196 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -63.13 152.7 36.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.18 . . . . 0.0 109.341 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.522 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -64.43 -177.35 0.29 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 110.347 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.409 HE22 ' CG ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -115.14 -71.3 0.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' C ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -115.2 -24.86 8.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.285 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.522 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 0.9 OUTLIER -81.15 112.42 18.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 110.213 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.55 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 4.0 p90 -141.01 124.22 16.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.2 179.44 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.47 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 2.4 t -52.21 149.3 5.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 108.296 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.08 2.39 90.58 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.513 1.133 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.513 ' OD2' ' CZ ' ' A' ' 6' ' ' ARG . 13.8 t70 -92.81 136.29 33.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.647 0.851 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.831 HD22 ' N ' ' A' ' 16' ' ' VAL . 1.0 OUTLIER -99.79 137.22 38.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.831 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -154.04 177.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.224 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -93.1 116.18 28.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.813 ' HB2' HD11 ' A' ' 63' ' ' LEU . . . -102.63 125.32 49.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.475 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 2.6 tttm -108.69 142.76 38.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.487 ' O ' ' O ' ' A' ' 23' ' ' TYR . 3.0 ttp -130.19 154.02 47.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -56.76 124.76 19.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.59 -19.05 34.69 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.726 ' CE2' ' CD2' ' A' ' 26' ' ' TRP . 2.1 t80 -115.99 134.54 22.73 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.432 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 18.3 Cg_endo -75.02 169.99 21.39 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.026 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.475 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -45.68 121.04 2.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.554 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.726 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -124.3 145.14 47.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.712 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.5 Cg_endo -74.89 106.32 2.25 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.442 1.759 . . . . 0.0 111.061 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.512 ' HB2' ' HA ' ' A' ' 49' ' ' PHE . . . -128.34 157.9 39.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 5.7 ptt180 -99.27 150.99 21.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.801 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -78.72 145.18 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.222 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.511 ' H ' HD13 ' A' ' 30' ' ' ILE . 1.0 OUTLIER -150.99 147.11 26.74 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -106.05 163.09 13.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.369 1.043 . . . . 0.0 110.283 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.73 134.72 75.25 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.999 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 163.8 34.52 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.514 1.797 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -144.04 31.41 1.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.399 1.062 . . . . 0.0 110.375 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.35 -62.89 1.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.05 -56.06 26.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.9 m -137.77 177.17 5.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.03 99.16 8.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.27 -176.74 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.998 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.5 p -117.41 134.48 54.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.66 123.38 28.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.6 p30 171.22 -33.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.51 168.94 10.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.603 1.189 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.801 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -122.17 144.61 48.84 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.395 1.059 . . . . 0.0 111.005 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.63 140.93 31.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.1 t -137.54 132.1 44.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.603 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -109.46 107.46 17.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.042 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.512 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 5.8 m-85 -76.52 119.39 20.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 29' ' ' ARG . 49.0 m-85 -72.8 -31.49 64.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.43 ' HA3' ' NE1' ' A' ' 26' ' ' TRP . . . -59.33 -56.99 22.06 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 111.072 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.3 p -87.79 -23.12 24.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 110.373 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 49' ' ' PHE . 8.4 t-160 72.19 40.21 0.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.405 1.066 . . . . 0.0 109.65 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -133.75 155.45 49.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.426 1.079 . . . . 0.0 110.23 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.603 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 2.3 m -97.48 116.03 28.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.395 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.58 150.19 33.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.618 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 41.0 p90 -86.4 109.66 19.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 0.0 111.025 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.636 HD22 ' CG ' ' A' ' 62' ' ' ASP . 66.5 mt -134.46 176.75 8.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.162 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.08 -162.57 12.38 Favored Glycine 0 CA--C 1.528 0.904 0 O-C-N 124.614 1.197 . . . . 0.0 111.067 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.416 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -75.01 -33.12 4.8 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.419 1.747 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -38.26 87.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.636 ' CG ' HD22 ' A' ' 58' ' ' LEU . 2.3 m-20 -72.05 -10.22 59.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.813 HD11 ' HB2' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -113.98 116.63 29.52 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.407 1.067 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.413 ' HB2' ' NE2' ' A' ' 25' ' ' HIS . 1.5 m-85 -122.3 148.86 53.44 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 167.57 26.75 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.505 1.792 . . . . 0.0 110.962 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.56 ' CE2' ' HD2' ' A' ' 70' ' ' LYS . 8.8 t80 -70.66 -38.09 73.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.169 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.0 -50.23 61.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.563 1.164 . . . . 0.0 110.264 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 71' ' ' GLU . 1.4 mt-10 -65.9 -47.92 73.19 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 74' ' ' GLY . 0.3 OUTLIER -51.99 -53.1 45.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.563 1.164 . . . . 0.0 109.943 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.56 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -62.34 -23.4 66.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 4.1 tt0 -60.84 -44.05 97.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.44 -66.7 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 3.0 p90 -133.09 -52.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 111.037 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 69.72 1.59 31.94 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.531 1.145 . . . . 0.0 111.087 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -133.13 98.22 15.84 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.474 0.749 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.47 11.19 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.059 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.639 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 1.4 m-80 -48.34 117.07 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.612 1.195 . . . . 0.0 109.221 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.673 ' CD ' ' CZ ' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -73.33 75.82 1.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.592 1.182 . . . . 0.0 109.235 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.49 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 13.1 mmt180 -90.75 -173.67 3.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -66.58 -63.4 1.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -61.79 -11.69 31.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.107 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.673 ' CZ ' ' CD ' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -78.52 -38.81 39.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.594 0.82 . . . . 0.0 111.057 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.3 t -74.24 -58.13 3.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.575 1.172 . . . . 0.0 110.066 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 88' ' ' GLU . 4.8 pt-20 -63.64 -30.88 71.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.59 1.181 . . . . 0.0 110.341 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.547 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -68.77 -53.7 18.49 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.578 1.174 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.804 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -61.18 -28.18 68.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.759 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.567 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -87.03 -21.55 26.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 107.921 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' GLU . 5.2 mt-10 -70.19 -27.09 64.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.574 HG21 ' HB2' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -95.21 -43.94 13.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.503 ' N ' HD13 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -73.58 -30.99 63.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.343 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.561 ' ND2' ' CD1' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -133.88 69.33 1.47 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.563 HD21 HG23 ' A' ' 95' ' ' VAL . 6.7 p30 -64.94 151.74 92.56 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.56 1.163 . . . . 0.0 109.365 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -32.8 4.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 111.026 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 94' ' ' THR . 8.8 t -127.28 92.59 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 110.39 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.644 HG22 ' H ' ' A' ' 96' ' ' LYS . 9.7 p -82.52 175.35 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.644 ' H ' HG22 ' A' ' 95' ' ' VAL . 5.2 pttp -163.94 -43.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -42.04 102.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 109.367 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.7 m -51.52 -58.12 7.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.42 1.075 . . . . 0.0 110.048 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.09 103.11 2.98 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.618 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.573 0.808 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 tpt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.501 0.191 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -158.37 170.56 21.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.79 155.6 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.349 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.6 p -106.41 137.22 44.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' A' ' 6' ' ' ARG . 0.3 OUTLIER -118.4 -170.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.491 ' CD ' ' HB3' ' A' ' 9' ' ' GLU . 10.6 ptp180 -72.34 156.98 38.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 110.378 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.621 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 0.8 OUTLIER -60.62 -126.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.543 ' C ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -81.17 12.06 3.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.396 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.491 ' HB3' ' CD ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -54.62 133.95 46.72 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.414 1.072 . . . . 0.0 110.304 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.541 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 5.0 p90 -147.54 120.94 9.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 111.055 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 14' ' ' ASP . 2.9 mtpt -128.62 173.43 10.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.463 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 0.6 OUTLIER -46.95 141.27 4.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 108.276 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.02 -2.71 88.15 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 7.9 t70 -88.04 141.15 28.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 0.732 . . . . 0.0 109.39 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.902 HD22 ' N ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -103.3 141.51 35.79 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 0.0 109.254 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.902 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -155.25 178.29 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -91.88 116.12 28.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.396 1.06 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.919 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -112.36 131.27 55.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.427 ' HB3' ' ND1' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -120.24 155.39 33.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.35 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.55 164.46 26.58 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -57.03 118.23 4.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.378 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.0 -18.88 29.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.438 1.086 . . . . 0.0 111.041 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.61 ' OH ' HG23 ' A' ' 52' ' ' THR . 4.3 t80 -103.03 132.44 21.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.599 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -75.04 154.59 42.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.489 ' CE1' ' HB2' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -42.92 111.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.638 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.624 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -114.75 153.61 46.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 107.948 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.548 ' HB2' HG21 ' A' ' 89' ' ' ILE . 18.5 Cg_endo -74.96 103.61 1.76 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.55 1.816 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.694 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -123.98 149.71 45.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -92.68 160.51 14.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.728 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -86.65 145.69 7.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.391 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.722 ' H ' HD13 ' A' ' 30' ' ' ILE . 1.0 OUTLIER -156.49 151.23 25.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.155 . . . . 0.0 109.329 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.444 ' O ' ' NE2' ' A' ' 46' ' ' GLN . 1.4 tt0 -90.19 143.15 27.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.419 ' SD ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -73.23 145.22 85.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 111.003 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 33' ' ' MET . 18.2 Cg_endo -75.04 165.1 31.98 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.39 1.732 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -139.12 26.59 2.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.2 -48.31 2.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.13 -47.8 33.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.4 m -143.11 177.27 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.338 1.024 . . . . 0.0 109.316 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.05 157.23 17.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 p -92.96 165.32 12.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.03 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 57.0 p -120.21 -171.9 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.75 133.99 54.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.418 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 3.4 p-10 40.54 82.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.373 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.419 ' O ' ' SD ' ' A' ' 33' ' ' MET . 14.7 tttp -144.91 128.23 16.83 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.728 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -134.56 152.35 51.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 32' ' ' GLU . 5.7 tt0 -91.39 141.54 28.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.174 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.469 HG13 ' HB1' ' A' ' 28' ' ' ALA . 2.1 t -136.16 146.01 29.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.281 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.592 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -118.21 107.37 13.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 111.064 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -77.65 127.97 33.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.562 1.164 . . . . 0.0 111.057 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 20.1 m-85 -81.27 -57.2 3.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.48 -48.49 2.99 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.61 HG23 ' OH ' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -91.18 -30.31 16.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.747 . . . . 0.0 110.366 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 42.9 t60 74.41 38.69 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.611 1.194 . . . . 0.0 109.593 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -131.57 149.17 52.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.259 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.592 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 2.8 m -94.49 112.77 24.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.433 1.083 . . . . 0.0 110.384 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -116.73 147.68 41.79 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.599 1.187 . . . . 0.0 109.285 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 5.1 p90 -84.53 121.96 28.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.91 HD22 ' CG ' ' A' ' 62' ' ' ASP . 82.9 mt -140.91 174.81 10.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.17 . . . . 0.0 109.242 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -116.38 -159.39 11.74 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -38.72 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -62.37 -42.87 99.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.615 1.197 . . . . 0.0 109.304 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.91 ' CG ' HD22 ' A' ' 58' ' ' LEU . 1.9 m-20 -63.56 -24.32 67.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.919 ' CD1' ' HB2' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -98.01 145.46 26.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.391 1.057 . . . . 0.0 109.312 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.489 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -137.98 138.84 24.4 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 110.973 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.401 ' O ' ' CB ' ' A' ' 69' ' ' SER . 17.9 Cg_endo -75.11 173.95 13.62 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.438 1.757 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.503 ' HA ' ' HG ' ' A' ' 69' ' ' SER . 0.5 OUTLIER -80.93 -31.44 35.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.901 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 2.5 tt0 -71.25 -43.94 66.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -75.53 -48.17 23.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.579 1.174 . . . . 0.0 110.199 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.503 ' HG ' ' HA ' ' A' ' 66' ' ' TYR . 87.4 p -55.24 -47.16 75.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -69.75 -23.81 63.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 67' ' ' GLU . 8.9 tt0 -59.69 -43.96 93.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.234 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -93.74 -67.81 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 109.348 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -132.64 -66.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 72.99 0.61 52.74 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.587 1.18 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -128.15 95.37 33.99 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 174.47 12.74 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.462 1.77 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.597 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 4.5 m-80 -49.57 133.01 21.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.548 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -84.27 84.55 7.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.493 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 9.7 mmt-85 -96.57 -174.44 3.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.347 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -68.79 -50.67 48.35 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.445 1.091 . . . . 0.0 109.257 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -71.04 -7.2 62.03 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.417 1.073 . . . . 0.0 110.989 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.624 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 2.0 t80 -82.97 -46.01 13.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.763 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.6 OUTLIER -66.96 -54.53 21.02 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 88' ' ' GLU . 6.5 pt-20 -69.08 -31.86 70.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 110.318 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.575 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -66.23 -52.44 36.25 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.777 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -62.36 -28.16 69.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 0.782 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.581 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -86.28 -20.75 27.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 108.017 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.9 OUTLIER -72.39 -25.81 61.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.768 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -97.55 -41.33 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.568 ' N ' HD13 ' A' ' 89' ' ' ILE . 6.3 mt-10 -76.78 -31.31 56.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.539 ' ND2' ' N ' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -133.4 72.34 1.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.377 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.466 ' CB ' ' HB ' ' A' ' 95' ' ' VAL . 0.8 OUTLIER -64.36 156.71 75.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.251 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -55.51 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.5 m -150.34 49.24 0.89 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.377 1.048 . . . . 0.0 110.352 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.466 ' HB ' ' CB ' ' A' ' 92' ' ' ASN . 41.3 t -94.65 138.5 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -120.65 -40.91 2.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.0 97.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.2 p -154.36 168.17 27.51 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.428 1.08 . . . . 0.0 109.968 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -155.11 149.88 21.23 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.586 1.179 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.606 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 110.932 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.406 0.146 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m -131.55 109.61 10.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.597 1.186 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 138.02 39.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 110.264 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.7 p -109.55 117.04 32.91 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.446 1.091 . . . . 0.0 109.963 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 6' ' ' ARG . 13.8 p-10 -107.48 -175.99 2.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.427 ' O ' ' ND2' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -106.86 -178.57 3.69 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.54 1.15 . . . . 0.0 110.329 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -111.9 -42.41 3.79 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -140.58 -36.92 0.46 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.405 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.437 ' N ' ' HG2' ' A' ' 8' ' ' LYS . 10.8 pt-20 -63.58 103.4 0.53 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.547 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 8.4 p90 -116.52 123.58 47.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.421 1.076 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 12' ' ' CYS . 0.4 OUTLIER -139.51 -179.91 6.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 11' ' ' LYS . 5.6 t -41.35 146.41 0.21 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.123 . . . . 0.0 108.28 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.52 -1.06 88.45 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.558 1.161 . . . . 0.0 111.032 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -88.07 131.03 34.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 0.753 . . . . 0.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.957 HD22 ' N ' ' A' ' 16' ' ' VAL . 0.4 OUTLIER -100.86 135.82 41.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.957 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.01 178.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -91.7 117.97 30.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.528 ' HB2' ' HB3' ' A' ' 28' ' ' ALA . . . -89.27 138.92 31.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.557 1.161 . . . . 0.0 109.22 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 8.0 tptt -132.35 119.53 20.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.569 1.168 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.765 ' SD ' HD21 ' A' ' 58' ' ' LEU . 1.5 ttt -134.42 168.13 19.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -57.14 136.46 56.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.7 9.27 12.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.603 ' CE1' ' HB2' ' A' ' 26' ' ' TRP . 16.4 t80 -128.47 114.62 19.64 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.478 0.752 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.579 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -75.01 156.44 42.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.537 ' CE1' ' HB2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -46.25 116.4 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.337 1.023 . . . . 0.0 109.584 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.613 ' CZ2' ' HB2' ' A' ' 82' ' ' PHE . 0.7 OUTLIER -132.29 159.04 73.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.664 ' HB2' HG21 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.92 102.73 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.477 1.777 . . . . 0.0 111.008 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . . . -122.44 148.8 44.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.55 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 14.3 ttt180 -101.56 138.19 38.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.356 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.563 HD11 ' CD1' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -65.49 149.11 11.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.376 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -150.99 153.49 35.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 109.255 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.45 ' O ' ' NE2' ' A' ' 46' ' ' GLN . 9.8 tt0 -107.35 167.52 9.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.537 1.148 . . . . 0.0 110.361 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.424 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -75.07 137.44 72.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 110.912 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 33' ' ' MET . 18.5 Cg_endo -75.09 167.53 26.76 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.43 1.753 . . . . 0.0 110.972 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -146.07 29.52 1.08 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.49 1.119 . . . . 0.0 110.243 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.16 -57.46 2.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.413 1.07 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.8 -58.49 4.94 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.8 m -136.16 177.16 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 109.358 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.58 76.6 1.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.35 165.79 0.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.3 p -92.09 125.22 36.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.452 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.54 124.01 29.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.2 p30 169.78 -32.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 109.239 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -108.77 177.05 4.89 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.563 ' CD1' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -117.25 152.24 35.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.979 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 31' ' ' ASP . 1.3 tt0 -94.86 135.86 35.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.407 1.067 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.422 HG11 HD12 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -119.74 139.48 46.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.505 1.128 . . . . 0.0 109.377 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.22 103.12 6.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -76.81 121.86 23.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 29' ' ' ARG . 3.0 m-85 -77.22 -59.41 2.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.31 -56.56 2.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.4 p -80.69 -29.52 36.51 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 0.773 . . . . 0.0 110.4 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 74.44 38.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.533 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.04 179.08 4.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.78 161.79 36.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -174.23 179.53 1.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.581 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 42.6 p90 -111.96 105.39 13.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 111.065 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.765 HD21 ' SD ' ' A' ' 20' ' ' MET . 71.4 mt -123.17 177.44 5.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.365 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.2 -157.56 10.6 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.415 1.072 . . . . 0.0 111.054 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -75.05 -43.07 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.95 -43.21 86.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.746 ' CG ' HD22 ' A' ' 58' ' ' LEU . 1.7 m-20 -64.81 -12.03 43.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -112.72 116.66 30.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.5 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -110.87 138.36 21.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 64' ' ' PHE . 18.5 Cg_endo -74.86 170.06 21.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.477 1.777 . . . . 0.0 110.977 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.58 ' CE2' ' HD2' ' A' ' 70' ' ' LYS . 17.3 t80 -82.17 -40.24 22.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 111.065 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.9 -51.92 53.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 110.26 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.21 -47.0 69.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.46 ' HB2' ' CA ' ' A' ' 74' ' ' GLY . 19.7 p -54.9 -50.44 68.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.073 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.58 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -68.94 -15.92 63.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -44.18 74.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -106.38 -68.13 0.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' SER . 8.4 m-85 -133.06 -85.56 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 111.054 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.46 ' CA ' ' HB2' ' A' ' 69' ' ' SER . . . 72.08 18.86 78.13 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.077 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.57 93.75 47.72 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.568 0.805 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.497 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.3 Cg_endo -74.95 173.94 13.63 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.442 1.759 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.496 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 5.0 m-80 -49.27 125.83 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.502 ' HD3' ' CD1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -81.26 86.41 6.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.411 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.52 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 22.5 mmt180 -99.93 -174.76 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 110.279 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -68.26 -47.68 67.08 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.417 1.073 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.64 -7.36 69.06 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.613 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 1.8 t80 -82.39 -47.51 12.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 0.731 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 47.3 t -66.99 -53.48 31.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.441 1.088 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 88' ' ' GLU . 5.7 pt-20 -69.29 -31.39 69.85 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.564 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -66.34 -54.96 20.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 0.0 111.083 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.802 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -59.65 -28.35 67.17 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.41 0.712 . . . . 0.0 109.354 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.605 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -86.24 -21.37 27.45 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.4 OUTLIER -72.14 -24.23 61.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.808 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -99.74 -43.68 11.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.642 ' N ' HD13 ' A' ' 89' ' ' ILE . 10.3 mm-40 -74.32 -30.17 61.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.536 HD22 ' N ' ' A' ' 91' ' ' ASN . 0.4 OUTLIER -132.96 69.9 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -74.0 144.21 81.95 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.14 -35.95 2.75 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.9 m -140.72 81.0 1.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.557 1.16 . . . . 0.0 110.408 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.584 ' O ' HG13 ' A' ' 95' ' ' VAL . 14.9 p -58.35 99.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.21 -32.94 74.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -152.53 166.15 32.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.84 -61.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.023 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -88.72 -151.87 24.3 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.569 1.168 . . . . 0.0 111.049 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.609 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.435 0.726 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 tmm? . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.502 0.191 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.2 p -174.76 109.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.969 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.5 ptt-85 -61.59 148.66 41.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.83 116.34 31.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 110.031 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -83.0 174.69 10.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.216 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.493 ' CZ ' ' OD1' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -85.53 -178.99 6.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.49 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 1.4 pm0 -109.23 -43.09 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.498 ' HG2' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -140.69 -36.11 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.085 . . . . 0.0 109.344 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.498 ' N ' ' HG2' ' A' ' 8' ' ' LYS . 16.4 pt-20 -70.17 104.07 2.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.255 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -138.46 139.48 38.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -136.41 -179.75 5.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 11' ' ' LYS . 29.9 p -40.73 145.71 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 108.327 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.09 -1.24 86.51 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.493 ' OD1' ' CZ ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -76.92 135.34 38.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 0.785 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.599 HD22 ' HG3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -111.87 133.97 53.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.676 HG13 ' N ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -164.2 178.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.676 ' N ' HG13 ' A' ' 16' ' ' VAL . 3.0 m-85 -93.39 108.82 20.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.81 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -89.44 144.63 25.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.482 ' HD3' ' CG ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -115.53 136.93 52.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.469 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -126.26 150.6 48.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 110.98 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.59 124.58 17.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.396 1.06 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.2 -19.23 28.02 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.602 ' OH ' ' CZ2' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -113.71 131.82 22.88 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 110.994 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.1 Cg_endo -74.99 175.34 11.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.505 ' CD2' ' HB2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -43.74 121.18 2.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.606 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.692 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.5 OUTLIER -130.4 144.69 54.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.692 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -75.07 108.22 2.66 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.553 1.817 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.477 ' HB2' ' HA ' ' A' ' 49' ' ' PHE . . . -133.21 158.97 41.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.599 ' HG3' HD22 ' A' ' 15' ' ' LEU . 38.6 ttp180 -102.25 160.37 14.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.585 ' CD1' ' CE1' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -88.24 149.8 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -158.01 150.17 22.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.76 148.1 25.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.71 113.52 23.63 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 111.002 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.88 12.02 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.431 1.753 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -139.26 29.68 2.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.337 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.19 -57.11 2.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.235 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.28 -52.62 45.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 m -139.09 177.06 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.7 128.91 42.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.1 p -104.57 176.95 4.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.937 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.9 p -120.07 -178.72 3.73 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.521 1.138 . . . . 0.0 110.348 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -93.19 179.75 5.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.093 . . . . 0.0 109.227 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.1 p30 40.46 67.33 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.41 141.53 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.367 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.585 ' CE1' ' CD1' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -125.68 150.0 48.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.947 -179.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 31' ' ' ASP . 24.5 tt0 -97.36 133.97 41.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.796 HG11 HD12 ' A' ' 58' ' ' LEU . 1.3 t -126.74 134.2 66.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.555 ' CE1' ' HB ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -108.25 104.35 13.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.477 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 2.6 m-85 -74.45 115.69 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.504 ' HE2' HD21 ' A' ' 15' ' ' LEU . 3.0 m-85 -80.8 -9.82 59.78 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.579 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . -76.2 -57.06 4.12 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.557 1.161 . . . . 0.0 110.963 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 57.6 p -86.54 -14.77 42.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.43 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.8 t60 74.29 37.44 0.59 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.632 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -141.52 160.13 40.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.555 ' HB ' ' CE1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -107.31 135.4 48.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.499 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.97 162.45 30.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.505 ' CG ' ' O ' ' A' ' 57' ' ' PHE . 6.4 p90 -81.36 126.57 31.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.179 . . . . 0.0 111.069 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.829 HD22 ' CG ' ' A' ' 62' ' ' ASP . 87.7 mt -152.2 178.23 9.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.355 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.88 -154.7 8.35 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.391 1.057 . . . . 0.0 111.032 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -41.13 0.7 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.382 1.727 . . . . 0.0 111.02 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.3 tptt -57.94 -48.47 79.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.829 ' CG ' HD22 ' A' ' 58' ' ' LEU . 11.8 m-20 -56.13 -30.72 62.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.603 1.189 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.81 ' CD1' ' HB2' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -91.62 117.58 29.86 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.422 ' HB2' ' NE2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -123.45 137.61 28.78 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.972 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.545 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 18.2 Cg_endo -75.04 169.86 21.68 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.45 1.763 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.523 ' CZ ' ' HD2' ' A' ' 70' ' ' LYS . 6.0 t80 -73.26 -36.19 66.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.7 -48.7 74.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.157 . . . . 0.0 110.321 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.25 -48.13 37.38 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.576 1.172 . . . . 0.0 110.334 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 74' ' ' GLY . 3.2 t -52.07 -51.4 57.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.523 ' HD2' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -65.64 -27.16 68.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -56.31 -41.49 76.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.612 ' HG3' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -102.93 -59.59 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.239 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.612 ' CD2' ' HG3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -127.71 -76.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 82.44 -3.32 82.48 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.65 97.66 15.57 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.763 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.445 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.2 Cg_endo -75.07 175.33 11.39 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.478 1.778 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.659 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 0.9 OUTLIER -48.91 118.95 2.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.589 ' HG3' ' CE1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -72.9 75.85 1.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.085 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.422 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 7.4 mmm180 -96.49 -176.01 3.5 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.41 1.068 . . . . 0.0 110.346 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -64.77 -73.73 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.599 1.187 . . . . 0.0 109.352 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.02 -17.91 4.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.659 ' CD2' ' O ' ' A' ' 77' ' ' ASN . 0.1 OUTLIER -74.01 -35.2 64.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 110.972 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.647 ' O ' HD13 ' A' ' 86' ' ' LEU . 3.7 t -76.47 -57.68 3.72 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 5.3 pt-20 -65.54 -10.22 33.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.556 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -82.76 -64.37 1.68 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.105 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.825 ' C ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.7 -22.99 58.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.677 ' N ' HD13 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -87.53 -28.15 22.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 107.988 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 0.5 OUTLIER -67.11 -23.43 65.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.367 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.796 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -99.26 -43.99 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.658 ' N ' HD13 ' A' ' 89' ' ' ILE . 18.6 mt-10 -70.67 -32.77 70.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.514 ' ND2' ' N ' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -133.3 67.59 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.238 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -68.17 131.34 92.11 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 -41.16 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.427 1.751 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.465 ' O ' HG22 ' A' ' 94' ' ' THR . 3.0 m -131.85 76.31 1.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 110.415 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.3 p -59.47 121.1 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.401 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.25 -33.39 13.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.78 87.25 3.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.2 p -137.83 157.54 46.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.944 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -152.1 -120.73 0.88 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.432 1.083 . . . . 0.0 111.061 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.612 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.768 . . . . 0.0 110.945 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.504 0.193 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.0 p -140.68 151.97 44.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.061 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -99.3 133.97 42.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.1 p -114.25 169.7 8.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.583 1.177 . . . . 0.0 110.018 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 6' ' ' ARG . 1.6 p-10 -86.2 172.29 10.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.488 ' HB2' ' CG ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -62.57 -176.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.327 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.427 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 1.8 pm0 -109.98 -40.6 4.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -140.12 -40.2 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.488 ' CG ' ' HB2' ' A' ' 6' ' ' ARG . 10.4 pt-20 -60.19 80.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 110.252 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.594 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -76.59 139.31 40.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 0.0 111.004 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -150.09 179.01 8.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.427 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 1.7 t -41.63 130.09 3.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 108.274 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.95 -14.37 34.22 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.417 1.073 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.8 144.87 25.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.74 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.895 HD22 ' N ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -118.15 140.32 49.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.895 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -155.24 178.76 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.632 ' N ' HG13 ' A' ' 16' ' ' VAL . 47.3 m-85 -91.69 115.28 27.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.772 ' HB2' ' CD2' ' A' ' 63' ' ' LEU . . . -107.09 128.47 54.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.555 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -117.94 143.5 46.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -128.48 160.2 33.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -56.87 119.41 6.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.31 -20.0 43.43 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.407 1.067 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.406 ' O ' ' O ' ' A' ' 20' ' ' MET . 6.1 t80 -112.82 132.14 22.43 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.564 0.803 . . . . 0.0 111.083 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.591 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.1 Cg_endo -75.0 156.96 43.01 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.37 1.721 . . . . 0.0 111.001 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.555 ' CD2' ' HB3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -42.91 111.54 0.27 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.595 1.185 . . . . 0.0 109.582 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.624 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -115.45 158.01 42.63 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.49 1.119 . . . . 0.0 107.99 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.452 ' HB2' HG21 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -74.97 103.13 1.68 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.483 1.781 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.646 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -122.86 147.46 46.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.432 1.082 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.563 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 2.7 ttt180 -94.25 160.25 14.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.361 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.763 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -89.86 144.09 9.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.617 ' H ' HD13 ' A' ' 30' ' ' ILE . 3.1 m-20 -155.85 149.51 25.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -105.96 153.69 21.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.209 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.92 116.67 54.44 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.147 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 158.67 41.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -134.35 42.34 2.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.45 -70.59 0.73 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.51 1.131 . . . . 0.0 109.228 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.37 -40.0 70.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.372 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.3 m -143.21 176.45 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.42 1.075 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.05 133.85 51.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.38 170.98 14.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 p -111.27 171.25 7.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.447 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . -104.01 121.89 44.11 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.564 1.165 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 6.9 m-80 -163.49 -43.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.46 178.02 5.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.763 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -119.66 152.43 37.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.604 1.19 . . . . 0.0 111.046 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.413 ' O ' ' O ' ' A' ' 31' ' ' ASP . 17.1 tt0 -89.73 139.53 30.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.414 ' CG2' HD11 ' A' ' 63' ' ' LEU . 1.4 t -131.7 137.57 54.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.605 1.191 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.577 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -113.7 109.57 18.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.638 1.211 . . . . 0.0 110.953 -179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 53' ' ' HIS . 12.7 m-85 -78.93 117.47 20.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 29' ' ' ARG . 44.8 m-85 -71.54 -58.62 3.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.6 -56.44 2.48 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.403 ' CG2' ' OH ' ' A' ' 23' ' ' TYR . 59.7 p -81.72 -31.19 32.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.388 0.699 . . . . 0.0 110.409 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.2 OUTLIER 74.82 38.0 0.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.64 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -130.7 147.7 52.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 110.367 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.577 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 1.1 m -96.04 115.87 28.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.162 . . . . 0.0 110.4 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -121.17 156.28 32.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.353 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.492 ' O ' ' CG ' ' A' ' 57' ' ' PHE . 9.1 p90 -83.59 126.82 33.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.613 1.196 . . . . 0.0 111.039 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.948 HD22 ' CG ' ' A' ' 62' ' ' ASP . 47.1 mt -150.27 177.53 9.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.075 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.86 -159.67 9.48 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.158 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.4 Cg_endo -74.94 -28.82 8.95 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.557 1.82 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 62' ' ' ASP . 47.6 pttt -69.1 -46.07 68.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.148 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.948 ' CG ' HD22 ' A' ' 58' ' ' LEU . 1.4 m-20 -71.35 -6.95 43.87 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.772 ' CD2' ' HB2' ' A' ' 18' ' ' ALA . 13.8 mt -112.52 141.23 46.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.238 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.72 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -140.27 140.33 23.07 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.388 1.055 . . . . 0.0 110.96 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.488 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 18.4 Cg_endo -75.04 170.55 20.16 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.79 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -79.04 -37.78 38.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -53.15 -50.63 64.17 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -48.1 65.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -56.55 -52.63 64.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.971 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -16.1 63.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.611 1.195 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -56.63 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.607 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -98.36 -66.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.347 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.607 ' CZ ' ' HG2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -132.25 -81.89 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.924 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.417 ' HA3' ' CB ' ' A' ' 69' ' ' SER . . . 70.78 8.59 64.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.414 1.071 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.5 94.17 30.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.464 0.743 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.4 ' HG3' ' O ' ' A' ' 25' ' ' HIS . 18.2 Cg_endo -75.03 174.81 12.15 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.401 1.737 . . . . 0.0 110.956 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.583 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 2.0 m-80 -50.05 139.67 13.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.589 ' CD ' ' CE1' ' A' ' 82' ' ' PHE . 1.6 tppt? -92.35 87.9 6.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.462 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 21.3 mmt180 -99.83 -176.21 3.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.413 1.071 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -43.17 78.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.359 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -75.21 -10.3 84.27 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.59 1.181 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.624 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 3.3 t80 -80.91 -42.68 21.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 111.062 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.1 p -75.2 -55.98 5.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.351 1.032 . . . . 0.0 109.974 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -61.22 -31.04 70.82 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.522 1.139 . . . . 0.0 110.219 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.661 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -72.11 -63.49 2.96 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.407 1.067 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.795 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -44.81 -26.21 0.38 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 0.748 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.693 ' CD1' ' OD1' ' A' ' 91' ' ' ASN . 12.1 t-105 -88.62 -43.03 11.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 108.025 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' GLY . 1.6 tm-20 -51.19 -20.85 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.829 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -100.64 -36.88 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.62 ' N ' HD13 ' A' ' 89' ' ' ILE . 1.5 mt-10 -70.13 -9.78 56.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.693 ' OD1' ' CD1' ' A' ' 87' ' ' TRP . 0.0 OUTLIER -125.75 47.76 2.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.456 HD21 HG23 ' A' ' 95' ' ' VAL . 9.8 p30 -58.05 155.28 25.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -39.26 1.26 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.49 1.784 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 94' ' ' THR . 9.7 t -116.97 87.92 2.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 110.352 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.456 HG23 HD21 ' A' ' 92' ' ' ASN . 12.4 p -87.46 137.72 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.163 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 97' ' ' ALA . 1.8 pttp -112.17 -30.99 7.01 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.431 ' N ' ' HG3' ' A' ' 96' ' ' LYS . . . -84.16 85.97 7.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.383 1.052 . . . . 0.0 109.238 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.3 p -54.12 151.04 7.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 110.064 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 170.34 -60.67 0.18 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.619 1.2 . . . . 0.0 111.092 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.614 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.523 0.778 . . . . 0.0 111.059 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.551 0.215 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.79 129.72 14.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.37 161.59 18.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 110.365 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.0 p -113.37 156.92 22.57 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.495 1.122 . . . . 0.0 110.075 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -81.1 174.87 11.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.536 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -114.76 -178.41 3.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.593 1.183 . . . . 0.0 110.343 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.512 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 1.7 pm0 -109.78 -42.73 4.19 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.486 ' CD ' ' HG2' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -141.67 -40.4 0.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.254 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.536 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -69.0 116.53 9.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 110.321 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.46 168.64 13.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.66 159.93 43.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.5 t -45.22 128.49 7.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 108.233 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.44 -20.33 40.07 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.406 1.066 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.461 ' OD1' ' NE ' ' A' ' 6' ' ' ARG . 16.1 t0 -55.86 168.93 0.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.736 HD13 ' O ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -136.1 129.95 32.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.325 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.931 HG22 ' O ' ' A' ' 64' ' ' PHE . 0.3 OUTLIER -151.41 177.53 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.58 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -92.48 114.36 26.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.981 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.658 ' HB2' HD21 ' A' ' 63' ' ' LEU . . . -98.21 144.88 27.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HD3' ' CG ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -123.57 138.23 54.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.367 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.441 ' O ' ' O ' ' A' ' 23' ' ' TYR . 1.4 ttt -131.44 151.69 51.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.586 1.179 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.62 123.6 14.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.579 1.175 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.49 -20.36 27.45 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.496 1.122 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.635 ' CE2' ' CD2' ' A' ' 26' ' ' TRP . 2.0 t80 -112.02 133.15 21.72 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.754 . . . . 0.0 111.042 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.2 Cg_endo -75.04 175.94 10.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.543 1.812 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -51.11 111.18 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.649 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.663 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -118.77 142.46 31.79 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.516 1.135 . . . . 0.0 108.065 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.663 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.1 Cg_endo -75.06 112.02 3.46 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.736 ' O ' HD13 ' A' ' 15' ' ' LEU . . . -125.62 158.03 35.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -98.96 139.98 33.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.342 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.748 HD13 ' H ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -74.98 148.95 7.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 124.634 1.209 . . . . 0.0 109.255 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.748 ' H ' HD13 ' A' ' 30' ' ' ILE . 2.6 m-20 -160.07 153.13 21.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 109.344 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.69 159.53 14.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.23 113.52 22.82 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 110.977 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 172.45 16.34 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.429 1.752 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -144.08 36.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 110.195 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.07 -66.36 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.02 -44.9 87.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.408 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.2 m -143.02 177.07 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.36 129.58 54.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.61 171.82 13.93 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.519 1.137 . . . . 0.0 110.071 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.3 p -115.3 177.3 4.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.46 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.51 130.91 49.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 p30 170.35 -33.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.1 170.91 9.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.47 142.1 47.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.485 ' HG3' ' CG2' ' A' ' 55' ' ' THR . 30.4 tt0 -90.73 114.49 26.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.253 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.7 t -107.26 149.19 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.375 1.047 . . . . 0.0 109.358 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.77 101.8 7.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.441 ' HE1' HD12 ' A' ' 58' ' ' LEU . 3.5 m-30 -70.9 125.14 26.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 111.068 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CE2' ' HB ' ' A' ' 89' ' ' ILE . 15.5 m-85 -74.97 -44.59 47.48 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.454 1.096 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.453 ' HA3' ' NE1' ' A' ' 26' ' ' TRP . . . -47.36 -56.86 7.72 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.44 1.088 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.0 p -85.91 -28.03 24.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 0.799 . . . . 0.0 110.39 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 74.44 38.95 0.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 109.58 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -131.3 155.15 47.68 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.588 1.18 . . . . 0.0 110.346 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.485 ' CG2' ' HG3' ' A' ' 46' ' ' GLN . 1.3 m -94.71 112.75 24.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.37 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.5 137.38 51.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.399 1.062 . . . . 0.0 109.234 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.628 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 44.1 p90 -69.56 108.82 3.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 111.04 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.441 HD12 ' HE1' ' A' ' 49' ' ' PHE . 60.1 mt -132.19 177.54 7.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.82 -160.27 9.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' A' ' 63' ' ' LEU . 17.9 Cg_endo -75.09 -44.63 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.534 1.807 . . . . 0.0 110.976 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -47.1 81.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.64 -19.97 65.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.179 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.823 HD22 ' CG1' ' A' ' 16' ' ' VAL . 15.7 mt -99.34 144.7 28.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.931 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -138.02 143.33 39.18 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 111.048 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 64' ' ' PHE . 18.5 Cg_endo -74.95 167.1 27.82 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.553 ' CE1' ' HG2' ' A' ' 70' ' ' LYS . 1.9 t80 -83.03 -36.33 25.06 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.569 1.168 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -50.63 63.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -63.79 -47.83 79.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.347 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.474 ' CB ' ' HA3' ' A' ' 74' ' ' GLY . 0.9 OUTLIER -60.31 -49.26 78.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.405 1.066 . . . . 0.0 109.978 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.553 ' HG2' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -70.42 -8.81 53.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.45 -46.62 26.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.232 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt -106.03 -68.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 69' ' ' SER . 9.1 m-85 -132.81 -81.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 111.05 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.474 ' HA3' ' CB ' ' A' ' 69' ' ' SER . . . 67.41 26.95 73.49 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.83 90.82 41.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 0.759 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.405 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.3 Cg_endo -74.86 175.24 11.46 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.576 1.829 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.623 ' O ' ' CE2' ' A' ' 82' ' ' PHE . 29.4 m-80 -49.8 172.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -129.57 90.39 2.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -102.01 -176.12 3.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -69.64 -55.34 10.31 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.2 -7.16 43.32 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.51 1.132 . . . . 0.0 111.048 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.623 ' CE2' ' O ' ' A' ' 77' ' ' ASN . 7.0 t80 -83.65 -47.94 10.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 0.737 . . . . 0.0 111.063 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.19 -53.83 43.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.024 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 88' ' ' GLU . 4.8 pt-20 -63.02 -30.76 71.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 110.247 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.446 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -65.56 -60.84 6.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.78 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -55.84 -28.12 54.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.763 . . . . 0.0 109.28 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.564 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -84.36 -23.95 29.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 108.006 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 84' ' ' GLU . 3.9 mm-40 -70.7 -23.05 62.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.247 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.572 ' HB ' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -100.0 -45.23 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.435 ' N ' HD13 ' A' ' 89' ' ' ILE . 12.6 mt-10 -74.61 -27.48 60.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.402 1.064 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.595 HD22 ' N ' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -134.01 58.98 1.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.404 1.065 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 95' ' ' VAL . 7.9 p30 -60.88 159.45 26.66 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.228 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -46.97 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.568 1.825 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 94' ' ' THR . 12.7 t -108.21 86.23 2.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.417 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.472 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 13.6 p -89.59 135.85 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 97' ' ' ALA . 0.1 OUTLIER -111.67 -31.52 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 109.328 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.437 ' N ' ' HG3' ' A' ' 96' ' ' LYS . . . -61.61 143.24 56.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.165 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.65 162.71 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -159.18 -58.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.43 1.082 . . . . 0.0 110.965 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.619 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.536 0.786 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.496 0.188 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 p -144.52 148.17 34.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.21 122.22 29.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.8 p -114.12 168.33 9.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.597 1.185 . . . . 0.0 110.043 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -57.34 170.53 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.519 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -73.52 -178.49 3.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.467 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 1.6 pm0 -113.26 -41.73 3.64 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.63 -38.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.519 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 5.0 pt-20 -75.87 117.21 17.36 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.428 1.08 . . . . 0.0 110.337 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.575 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 6.1 p90 -136.25 120.07 17.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -136.68 -179.43 5.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.181 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.432 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -41.07 142.82 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 108.275 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.52 2.45 76.27 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.568 1.168 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.45 ' OD1' ' NE ' ' A' ' 6' ' ' ARG . 1.5 t70 -102.44 127.98 49.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 0.776 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.017 HD22 ' N ' ' A' ' 16' ' ' VAL . 0.2 OUTLIER -108.72 132.06 54.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.017 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -150.27 179.89 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.228 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.466 ' O ' HD13 ' A' ' 63' ' ' LEU . 1.5 m-85 -91.31 121.2 32.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.421 1.075 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.559 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . . . -127.14 141.49 51.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.217 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.56 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -113.17 158.31 20.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.369 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.418 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -130.29 159.1 37.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.32 118.65 5.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.96 -17.92 43.2 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.562 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 2.7 t80 -110.73 137.25 20.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.574 0.808 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.588 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.1 Cg_endo -75.07 156.86 42.72 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.402 1.738 . . . . 0.0 110.973 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.56 ' CD2' ' HB3' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -42.4 111.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.574 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.595 ' CZ2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -116.7 157.1 46.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 107.989 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.599 ' HB2' HG21 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.95 103.82 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.429 1.752 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.559 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -121.86 142.81 49.87 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.458 1.099 . . . . 0.0 109.239 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.3 ttp85 -98.85 140.51 32.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.339 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.432 ' CG2' ' HA ' ' A' ' 12' ' ' CYS . 0.2 OUTLIER -63.26 145.82 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -158.64 145.79 17.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -95.49 158.72 15.33 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.97 113.48 23.62 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 133.22 16.41 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.56 1.821 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -100.8 38.23 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.32 -56.55 2.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.11 -42.34 80.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 m -143.24 171.97 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.29 64.51 0.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.347 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.17 177.8 0.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.574 1.171 . . . . 0.0 109.966 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 42' ' ' ALA . 28.5 m -113.63 171.37 7.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.43 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.427 ' H ' HG22 ' A' ' 41' ' ' THR . . . -103.65 127.75 51.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.6 p30 167.25 -32.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.96 173.02 7.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.902 ' OH ' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -118.8 134.97 54.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.504 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 33.7 tt0 -75.05 115.37 14.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.902 HG23 ' OH ' ' A' ' 45' ' ' TYR . 14.6 p -94.78 136.95 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.448 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -113.94 97.73 6.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.041 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -78.92 122.01 25.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 6.8 m-85 -79.69 -56.53 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -40.13 -55.79 2.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.5 p -78.75 -28.96 44.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 0.804 . . . . 0.0 110.373 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 74.31 37.48 0.58 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.54 1.15 . . . . 0.0 109.582 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -137.49 163.86 30.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.559 1.162 . . . . 0.0 110.247 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.448 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -105.24 159.44 15.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.471 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.563 ' C ' HG12 ' A' ' 47' ' ' VAL . . . -155.61 -179.12 7.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -119.83 101.3 7.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.46 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 50.3 mt -129.02 179.64 5.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.2 -167.78 12.78 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -18.62 18.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 0.0 110.997 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -72.66 -25.46 61.28 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -97.28 2.15 50.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.649 HD23 ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -111.24 137.82 48.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.508 ' CZ ' ' HG2' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -140.14 131.67 14.38 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.489 1.118 . . . . 0.0 110.922 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 169.8 21.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.547 1.814 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -63.66 -36.2 83.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -62.27 -50.65 70.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.261 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.508 ' HG2' ' CZ ' ' A' ' 64' ' ' PHE . 0.6 OUTLIER -68.26 -49.14 62.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.528 ' O ' ' N ' ' A' ' 74' ' ' GLY . 1.4 p -55.76 -53.39 57.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.944 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -18.83 64.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 9.5 tt0 -62.88 -49.97 72.75 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 110.257 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.59 -68.6 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.535 ' CG ' ' N ' ' A' ' 74' ' ' GLY . 4.6 p90 -133.89 -52.92 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.535 ' N ' ' CG ' ' A' ' 73' ' ' PHE . . . 60.5 9.55 13.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.438 1.086 . . . . 0.0 111.039 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -133.83 94.27 19.13 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.54 0.788 . . . . 0.0 109.3 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.402 ' HG3' ' O ' ' A' ' 25' ' ' HIS . 18.1 Cg_endo -75.08 174.88 12.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.463 1.77 . . . . 0.0 110.945 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.516 ' H ' ' ND2' ' A' ' 77' ' ' ASN . 3.8 m-80 -49.06 129.65 17.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.437 ' HG2' ' CE1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -83.1 89.04 6.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.511 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 20.9 mmt85 -100.89 -175.25 2.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.38 -48.27 65.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.33 -7.19 67.32 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.578 1.174 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.595 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 2.2 t80 -82.34 -47.71 12.02 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.554 0.797 . . . . 0.0 111.064 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.4 OUTLIER -66.29 -53.66 34.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.921 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -70.4 -26.65 63.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.568 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -70.47 -55.14 9.04 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.805 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -60.01 -27.62 67.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.572 0.807 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.57 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -86.28 -21.72 27.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 108.006 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.59 -24.57 61.11 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.426 1.079 . . . . 0.0 110.277 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.799 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -98.67 -42.54 11.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.429 1.081 . . . . 0.0 109.244 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.601 ' N ' HD13 ' A' ' 89' ' ' ILE . 3.3 mt-10 -76.99 -29.5 55.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.272 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.547 HD22 ' N ' ' A' ' 91' ' ' ASN . 0.4 OUTLIER -133.26 71.59 1.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.469 ' HB2' ' CG2' ' A' ' 95' ' ' VAL . 27.4 p30 -62.95 152.6 83.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -54.84 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.632 ' O ' HG22 ' A' ' 94' ' ' THR . 15.3 m -149.8 48.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.418 1.074 . . . . 0.0 110.411 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 92' ' ' ASN . 93.5 t -94.41 134.92 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 97' ' ' ALA . 15.2 pttt -115.2 -35.79 4.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.178 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.435 ' N ' ' HG3' ' A' ' 96' ' ' LYS . . . -78.1 83.83 4.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.2 m -125.48 177.72 6.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.104 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -172.49 129.04 1.64 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.658 ' N ' ' CD1' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.527 0.78 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.456 0.17 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.36 152.29 26.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.133 . . . . 0.0 110.014 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -81.45 167.86 18.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.353 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.7 112.46 25.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 6' ' ' ARG . 15.7 p-10 -117.59 -171.83 2.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.465 ' HB2' ' CG ' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -90.86 -177.42 4.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.416 1.073 . . . . 0.0 110.278 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.459 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -96.64 -79.08 0.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 110.276 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.4 ' HD3' ' C ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -119.35 -8.41 10.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.465 ' CG ' ' HB2' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -73.95 175.04 7.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.39 1.057 . . . . 0.0 110.282 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.416 ' C ' ' OE2' ' A' ' 9' ' ' GLU . 7.0 p90 -147.09 129.25 15.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 111.059 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.88 176.4 8.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.7 t -43.48 134.15 4.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 108.257 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.54 -3.03 78.39 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.587 1.179 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.406 ' OD2' ' NE ' ' A' ' 6' ' ' ARG . 6.8 t70 -81.97 140.6 33.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.786 HD22 ' H ' ' A' ' 16' ' ' VAL . 1.5 tm? -109.63 142.16 41.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.823 HG23 HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -162.27 177.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.579 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 23.7 m-85 -93.06 112.04 23.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.617 ' HB2' HD21 ' A' ' 63' ' ' LEU . . . -98.94 132.06 44.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 8.2 tttt -108.68 145.04 35.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.447 ' O ' ' O ' ' A' ' 23' ' ' TYR . 2.4 ttt -129.36 153.74 47.58 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.619 1.199 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -56.22 121.92 10.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.46 -19.97 29.39 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.562 ' CE2' ' CD2' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -111.28 134.59 21.08 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.593 0.819 . . . . 0.0 111.024 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.41 ' CB ' HD22 ' A' ' 77' ' ' ASN . 18.0 Cg_endo -74.96 169.65 22.16 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 110.973 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.579 ' CD2' ' HB3' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -44.64 116.17 1.01 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.623 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.72 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.6 OUTLIER -120.43 145.22 40.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.72 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -74.99 108.84 2.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.452 1.764 . . . . 0.0 110.977 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.595 ' O ' HD22 ' A' ' 15' ' ' LEU . . . -129.88 162.44 28.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.499 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 12.1 ptm180 -103.91 156.46 17.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.66 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -82.54 149.69 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.45 ' H ' HD13 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -156.67 150.67 24.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -99.15 152.69 19.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.71 114.08 30.78 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 175.11 11.66 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.513 1.796 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -144.57 31.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.36 -71.43 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.365 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.46 -50.45 67.69 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.564 HG22 ' N ' ' A' ' 39' ' ' LYS . 9.0 p -143.02 170.57 10.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.564 ' N ' HG22 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -109.03 96.59 6.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.89 -176.06 1.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.063 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.9 p -120.03 124.16 45.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.388 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 43' ' ' ASN . . . -49.32 175.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 42' ' ' ALA . 10.2 m-20 80.48 38.15 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.76 160.32 4.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.66 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -125.88 151.97 46.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 111.017 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.482 ' HG3' HG23 ' A' ' 55' ' ' THR . 36.5 tt0 -92.1 129.13 38.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 110.249 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.53 HG22 HD11 ' A' ' 63' ' ' LEU . 1.3 t -126.22 135.14 64.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.379 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.599 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.0 OUTLIER -112.33 105.53 13.84 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.606 1.191 . . . . 0.0 110.957 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.51 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 3.8 m-85 -76.0 118.94 19.29 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.499 ' CE2' ' HB3' ' A' ' 29' ' ' ARG . 51.8 m-85 -71.29 -34.28 70.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.599 1.187 . . . . 0.0 111.073 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.436 ' HA3' ' NE1' ' A' ' 26' ' ' TRP . . . -57.31 -56.94 22.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 42.7 p -87.23 -20.18 27.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 49' ' ' PHE . 27.6 t-80 67.98 40.35 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.621 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.18 158.53 43.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.577 1.173 . . . . 0.0 110.338 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.599 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 1.8 m -99.08 115.81 29.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.464 1.102 . . . . 0.0 110.483 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.94 141.72 47.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -75.42 107.64 7.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.855 HD22 ' CG ' ' A' ' 62' ' ' ASP . 23.3 mt -137.96 172.22 13.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.4 1.062 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.04 -157.7 9.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.445 1.09 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -28.2 9.25 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.554 1.818 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -72.21 -18.07 61.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.855 ' CG ' HD22 ' A' ' 58' ' ' LEU . 1.5 m-20 -105.2 10.79 33.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.226 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.823 HD22 HG23 ' A' ' 16' ' ' VAL . 6.8 mt -135.85 118.58 16.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 0.1 OUTLIER -114.84 146.84 36.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 111.05 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.52 ' HA ' HG12 ' A' ' 16' ' ' VAL . 18.4 Cg_endo -74.97 171.05 19.07 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.388 1.73 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -82.12 -42.1 19.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.18 -51.07 57.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -44.6 80.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.262 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -56.68 -51.55 68.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 110.042 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.463 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -70.54 -12.05 61.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -68.95 -49.69 55.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.14 -67.51 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' SER . 1.3 m-85 -132.37 -82.77 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.03 8.84 79.31 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.573 1.17 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -115.7 96.33 46.13 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.426 0.721 . . . . 0.0 109.265 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 174.71 12.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 110.998 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.634 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 4.1 m-80 -49.44 147.44 3.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.43 85.3 6.13 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.399 1.062 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.9 mmt-85 -99.53 -176.56 3.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.163 . . . . 0.0 110.339 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -69.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -53.86 -17.4 7.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.13 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.634 ' CD2' ' O ' ' A' ' 77' ' ' ASN . 0.6 OUTLIER -75.54 -38.6 59.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 110.993 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.7 -58.29 3.8 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.451 1.094 . . . . 0.0 109.918 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -65.73 -30.31 70.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.428 1.08 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.504 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -67.73 -56.53 10.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.558 1.161 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.802 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.38 -28.79 65.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 0.75 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.598 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -85.39 -21.98 28.59 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -72.04 -24.52 61.55 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.53 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -97.69 -43.58 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 109.36 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.414 ' N ' HD13 ' A' ' 89' ' ' ILE . 3.0 mm-40 -75.09 -27.41 59.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.264 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.564 ' ND2' ' N ' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -134.63 69.81 1.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -83.44 149.85 58.84 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.612 1.195 . . . . 0.0 109.39 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.09 -24.41 12.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.426 1.75 . . . . 0.0 110.987 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.7 m -121.92 86.54 2.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.362 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.739 HG22 ' H ' ' A' ' 96' ' ' LYS . 2.7 p -94.51 -174.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.739 ' H ' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -175.98 -43.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.43 97.81 7.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.4 p -174.65 174.17 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.613 1.195 . . . . 0.0 110.076 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 156.35 -112.5 0.53 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.649 ' N ' ' CD1' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.766 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 120.549 0.214 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -105.08 162.27 13.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.949 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.82 147.38 35.24 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.32 149.74 35.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.417 1.073 . . . . 0.0 109.977 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -109.29 175.84 5.31 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.506 ' CZ ' ' OD1' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -79.84 -178.46 6.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.38 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.467 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 1.6 pm0 -108.95 -41.95 4.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.446 ' HD3' ' CG ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -141.45 -39.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 109.258 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 9.7 pt-20 -61.53 100.72 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.419 1.074 . . . . 0.0 110.27 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.482 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 7.7 p90 -119.86 129.29 54.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.6 178.82 6.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.4 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 15.3 t -45.67 142.76 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 108.337 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.61 2.24 76.34 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.454 1.096 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.506 ' OD1' ' CZ ' ' A' ' 6' ' ' ARG . 7.0 t70 -96.24 146.89 24.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 0.746 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.945 HD12 ' N ' ' A' ' 16' ' ' VAL . 3.7 tp -122.6 140.81 52.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.945 ' N ' HD12 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -161.46 -179.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.68 ' N ' HG13 ' A' ' 16' ' ' VAL . 85.3 m-85 -89.53 119.56 30.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.497 1.123 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.509 ' HA ' HD12 ' A' ' 63' ' ' LEU . . . -97.61 155.47 16.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -144.74 124.89 13.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 109.223 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.842 ' SD ' HD21 ' A' ' 58' ' ' LEU . 16.3 ttp -135.51 166.57 22.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.049 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -55.38 135.06 50.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.82 10.58 19.71 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 111.055 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CE1' ' HB2' ' A' ' 26' ' ' TRP . 14.6 t80 -128.51 115.82 19.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.512 0.772 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.579 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.6 Cg_endo -74.96 157.12 43.13 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.471 ' O ' ' CG ' ' A' ' 76' ' ' PRO . 0.0 OUTLIER -47.41 117.48 1.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.543 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.593 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -134.66 159.32 72.65 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.591 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -74.94 101.51 1.47 Allowed 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.52 1.8 . . . . 0.0 111.011 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.76 139.63 51.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -95.77 139.21 32.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.604 HD11 ' CG ' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -65.74 147.65 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.78 146.04 25.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -89.92 152.72 21.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.83 119.16 74.73 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 171.04 19.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.431 1.753 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -145.32 30.1 1.14 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.51 -60.44 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.47 -59.41 5.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.358 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.7 m -131.84 177.15 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.05 125.31 50.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.16 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.87 171.4 8.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 110.018 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.9 p -97.39 128.06 43.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.421 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.406 ' O ' ' CB ' ' A' ' 43' ' ' ASN . . . -78.29 124.96 28.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.117 . . . . 0.0 109.266 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 42' ' ' ALA . 5.5 p30 163.34 -29.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.58 177.53 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.604 ' CG ' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -122.6 147.35 46.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.357 1.035 . . . . 0.0 110.957 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -94.66 128.98 41.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.345 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.671 HG11 HD12 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -102.45 145.11 12.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.478 ' CZ ' ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -132.67 101.44 5.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 111.154 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.482 ' CZ ' ' CG1' ' A' ' 47' ' ' VAL . 3.7 m-85 -75.21 124.9 27.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.973 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.435 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 2.9 m-85 -78.42 -59.91 2.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.08 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -38.91 -56.3 2.16 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.084 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.8 p -80.85 -30.1 35.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.425 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 74.27 38.69 0.52 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 109.538 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -118.77 169.91 9.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.478 ' OG1' ' CZ ' ' A' ' 48' ' ' PHE . 24.9 m -134.81 146.83 49.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.442 1.088 . . . . 0.0 110.446 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -157.96 -179.8 8.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.716 ' O ' HD23 ' A' ' 58' ' ' LEU . 46.7 p90 -106.31 124.57 49.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 110.966 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.842 HD21 ' SD ' ' A' ' 20' ' ' MET . 43.7 mt -146.4 178.91 7.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -120.77 -156.73 9.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.492 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.3 Cg_endo -75.1 -33.99 4.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.555 1.819 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -57.42 13.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.01 -30.19 14.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.599 ' HG ' HG12 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -91.34 141.67 28.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.401 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 2.5 m-85 -144.2 138.84 15.22 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 111.095 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.534 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 18.1 Cg_endo -75.03 173.98 13.57 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.465 1.771 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -70.65 -39.57 73.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -55.3 -51.74 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.235 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 71' ' ' GLU . 19.7 mt-10 -68.73 -47.65 65.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 74' ' ' GLY . 3.4 m -54.8 -51.88 64.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.081 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -18.56 65.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 0.3 OUTLIER -62.61 -57.33 11.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.192 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.502 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -77.06 -70.09 0.49 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.502 ' CD1' ' HB3' ' A' ' 72' ' ' LYS . 9.6 p90 -131.48 -54.3 1.02 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 68.42 1.35 21.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.89 94.3 28.8 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.529 0.782 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.471 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.6 Cg_endo -74.93 174.42 12.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.771 . . . . 0.0 111.048 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.492 ' H ' ' ND2' ' A' ' 77' ' ' ASN . 4.6 m-80 -48.94 111.3 0.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.583 1.177 . . . . 0.0 109.203 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -69.06 87.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.491 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 25.5 mmt180 -101.14 -175.93 3.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.374 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -67.19 -46.79 72.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.63 -8.97 49.74 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.491 ' HB3' ' O ' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -81.32 -53.43 6.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.992 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.431 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 5.4 t -63.4 -54.08 42.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.937 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 4.3 pt-20 -71.16 -15.12 62.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.562 1.164 . . . . 0.0 110.254 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.475 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -77.73 -61.02 2.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.792 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -57.83 -30.6 65.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.765 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.625 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -82.97 -20.92 34.27 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 2.0 mm-40 -72.56 -24.5 61.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.378 1.049 . . . . 0.0 110.33 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -99.52 -46.85 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.449 ' N ' HD13 ' A' ' 89' ' ' ILE . 42.1 mm-40 -71.15 -29.32 65.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.589 1.18 . . . . 0.0 110.362 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.579 HD22 ' N ' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -133.94 66.86 1.53 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 92' ' ' ASN . 10.5 p-10 -79.3 155.64 76.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -30.41 7.24 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.571 1.827 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 63.4 m -119.06 91.44 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.453 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.664 HG22 ' H ' ' A' ' 96' ' ' LYS . 5.0 p -93.37 177.15 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.44 1.087 . . . . 0.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.664 ' H ' HG22 ' A' ' 95' ' ' VAL . 0.2 OUTLIER -175.4 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.227 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.454 ' HB2' ' NZ ' ' A' ' 96' ' ' LYS . . . -100.22 77.64 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.1 -55.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.59 1.181 . . . . 0.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.444 ' C ' ' CD1' ' A' ' 100' ' ' TYR . . . 131.92 162.46 10.44 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.552 1.157 . . . . 0.0 110.978 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.617 ' N ' ' CD1' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 111.006 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 mtm . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.453 0.168 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -126.54 106.84 9.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.062 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.18 148.63 22.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.394 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.3 p -95.87 116.66 29.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.031 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -113.01 165.13 12.64 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.458 1.099 . . . . 0.0 109.414 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.442 ' HB2' ' HB2' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -90.97 -179.57 5.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.565 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 1.7 pm0 -108.87 -110.17 0.32 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.585 1.178 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.447 ' HD3' ' C ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -83.63 11.65 6.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.442 ' HB2' ' HB2' ' A' ' 6' ' ' ARG . 1.2 mt-10 -53.26 122.54 9.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.545 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 3.6 p90 -147.53 124.16 11.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.19 175.21 10.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.442 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 2.0 t -45.05 123.02 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 108.301 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.28 8.5 46.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -101.23 134.7 43.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.659 HD21 ' HE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -97.36 137.12 36.82 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.451 1.094 . . . . 0.0 109.258 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -158.19 178.13 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.565 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -91.89 132.49 36.44 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.006 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -129.98 130.66 45.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.577 ' HB3' ' CG ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -117.64 152.12 35.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.417 ' O ' ' O ' ' A' ' 23' ' ' TYR . 8.4 ttt -132.2 156.22 46.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.79 119.48 6.26 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.31 -20.49 45.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.417 ' O ' ' O ' ' A' ' 20' ' ' MET . 4.3 t80 -114.05 135.92 22.14 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.441 0.73 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.458 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -75.0 155.17 42.88 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.524 1.802 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.577 ' CG ' ' HB3' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -41.13 116.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.598 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.603 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -120.03 158.29 50.68 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.481 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -75.03 107.32 2.46 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.545 1.813 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.713 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -124.14 156.28 36.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.386 1.054 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.439 ' CG ' ' HB3' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -107.84 148.06 30.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 110.32 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.755 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -71.24 144.51 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.206 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.584 ' H ' HD13 ' A' ' 30' ' ' ILE . 4.5 m-20 -151.47 145.53 25.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -89.91 160.81 16.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.234 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -82.9 121.1 77.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 156.07 43.17 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.549 1.815 . . . . 0.0 111.017 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -121.3 25.68 9.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.12 -77.97 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.83 -31.17 37.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -143.47 177.11 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.443 1.089 . . . . 0.0 109.208 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.481 ' CG ' ' N ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -74.67 -148.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.481 ' N ' ' CG ' ' A' ' 39' ' ' LYS . 34.9 p -145.13 130.72 18.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.044 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.4 m -117.06 167.22 11.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 110.352 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.459 ' O ' ' ND2' ' A' ' 43' ' ' ASN . . . -104.57 178.12 4.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER 38.97 56.73 1.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 1.073 . . . . 0.0 109.377 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.53 137.94 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.755 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -129.01 149.25 50.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.966 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.501 ' OE1' ' CG2' ' A' ' 55' ' ' THR . 0.0 OUTLIER -82.77 135.14 35.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.581 1.175 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.504 HG11 HD12 ' A' ' 58' ' ' LEU . 6.0 t -136.6 125.72 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.409 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.501 ' O ' ' HB1' ' A' ' 28' ' ' ALA . 6.4 t80 -105.79 133.94 49.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 110.963 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -97.88 126.94 43.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.659 ' HE2' HD21 ' A' ' 15' ' ' LEU . 9.5 m-85 -78.46 -60.17 2.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.624 1.203 . . . . 0.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -40.05 -55.23 2.94 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.0 p -80.23 -31.52 38.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.398 0.705 . . . . 0.0 110.47 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 73.29 39.71 0.58 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.574 1.171 . . . . 0.0 109.61 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -133.25 145.21 50.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.227 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.501 ' CG2' ' OE1' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -93.87 121.54 35.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.383 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.33 153.2 47.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.576 ' CG ' ' O ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -87.0 122.86 31.43 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.504 HD12 HG11 ' A' ' 47' ' ' VAL . 82.0 mt -140.87 177.71 7.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.189 . . . . 0.0 109.305 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -120.26 -160.83 11.31 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.3 Cg_endo -75.09 -34.75 3.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.443 1.76 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.84 -42.61 97.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.085 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.449 ' CG ' HD22 ' A' ' 58' ' ' LEU . 2.5 m-20 -64.46 -22.43 66.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.176 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.006 ' CD1' ' HB2' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -100.66 145.53 28.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.453 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -140.67 146.28 43.87 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.952 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.408 ' O ' ' HB3' ' A' ' 69' ' ' SER . 18.3 Cg_endo -75.03 158.38 42.11 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.454 1.765 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.573 ' CE2' ' HD2' ' A' ' 70' ' ' LYS . 8.0 t80 -79.53 -37.97 35.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -54.25 -51.28 65.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -68.85 -39.18 80.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.451 ' HB2' ' CA ' ' A' ' 74' ' ' GLY . 7.0 p -59.44 -51.04 71.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.573 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 1.8 pttm -71.05 -13.99 62.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -69.67 -44.25 70.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.359 1.037 . . . . 0.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -106.43 -68.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.388 1.055 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' SER . 0.6 OUTLIER -132.93 -77.33 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.404 1.065 . . . . 0.0 111.003 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.451 ' CA ' ' HB2' ' A' ' 69' ' ' SER . . . 61.84 26.36 66.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.23 94.17 24.21 Favored Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 124.457 0.739 . . . . 0.0 109.258 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 175.28 11.41 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.474 1.776 . . . . 0.0 110.99 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.587 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 3.2 m-80 -49.09 141.3 8.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -92.94 90.27 6.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 19.9 mmt180 -100.95 -175.99 3.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -68.43 -44.87 74.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.249 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.48 -9.9 78.53 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.458 1.099 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.603 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 3.2 t80 -81.65 -44.02 17.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 0.801 . . . . 0.0 110.95 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.6 t -68.67 -56.22 8.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 109.951 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 4.6 pt-20 -69.42 -21.43 63.75 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.571 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -75.29 -58.2 4.02 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.831 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -57.4 -27.21 62.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.552 ' CD1' ' ND2' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -86.87 -23.38 25.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 108.019 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 1.1 mm-40 -70.36 -22.53 62.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.571 HG22 ' O ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -100.48 -44.4 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.381 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.49 ' N ' HD13 ' A' ' 89' ' ' ILE . 4.9 mm-40 -72.45 -30.44 64.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.243 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.552 ' ND2' ' CD1' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -133.88 69.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -68.38 149.31 98.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.223 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 -30.95 6.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 111.028 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.706 HG23 ' O ' ' A' ' 94' ' ' THR . 11.5 t -149.88 76.64 1.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 95' ' ' VAL . 14.1 p -45.03 107.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.594 1.184 . . . . 0.0 109.349 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -81.63 -32.68 31.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.451 ' O ' ' CB ' ' A' ' 98' ' ' SER . . . -145.81 151.51 38.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.196 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 97' ' ' ALA . 0.2 OUTLIER 82.44 177.21 0.08 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.379 1.05 . . . . 0.0 110.016 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 100' ' ' TYR . . . 161.67 145.27 4.26 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.606 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.463 0.743 . . . . 0.0 110.963 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.489 0.185 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 p -109.17 83.77 1.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.94 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -86.61 168.01 14.03 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.94 141.36 53.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.958 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -114.37 158.19 21.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.575 1.172 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.436 ' HG3' ' HB2' ' A' ' 9' ' ' GLU . 5.8 ptp180 -94.49 -179.87 5.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.243 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.573 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 1.9 pm0 -105.7 -112.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.246 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.569 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -83.3 10.95 7.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.25 -179.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.436 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 3.6 mt-10 -54.4 135.52 45.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.569 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -147.85 161.71 40.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 110.975 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.53 159.81 44.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.3 p -43.71 130.28 5.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 108.313 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.24 7.26 60.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.43 1.081 . . . . 0.0 111.004 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -86.56 150.05 24.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.565 0.803 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.718 HD21 ' HE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -119.24 140.76 49.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.652 HG13 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -162.76 176.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.406 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -92.74 112.41 24.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.765 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -104.84 132.93 50.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 24' ' ' PRO . 12.8 tttt -114.17 141.49 47.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -127.51 156.62 41.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.61 120.26 7.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.86 -17.3 32.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.126 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.687 ' OH ' HG23 ' A' ' 52' ' ' THR . 4.1 t80 -106.94 129.05 24.94 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.523 0.778 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.451 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 18.4 Cg_endo -75.09 157.79 42.22 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.453 1.764 . . . . 0.0 111.053 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.47 ' O ' ' CG ' ' A' ' 76' ' ' PRO . 0.0 OUTLIER -39.42 118.4 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.665 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.624 ' CZ2' ' HB2' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -129.19 155.12 80.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 107.956 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.59 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.4 Cg_endo -74.88 104.12 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.436 1.756 . . . . 0.0 111.071 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.669 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -119.73 149.55 41.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.439 ' HG2' ' N ' ' A' ' 30' ' ' ILE . 15.2 ttm180 -97.51 160.9 14.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.144 . . . . 0.0 110.36 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.471 HG12 ' CE1' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -81.12 142.45 13.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.551 ' OD2' ' CD2' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -152.1 149.29 28.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -104.11 147.89 26.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.217 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -73.59 131.23 82.59 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 111.077 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 170.77 19.69 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 111.078 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -124.29 28.96 6.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.25 -60.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.87 -44.9 94.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.5 m -136.73 177.07 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.54 117.28 34.35 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.607 1.192 . . . . 0.0 109.364 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.1 t -41.22 140.48 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.039 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.1 p -119.91 -171.52 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.349 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.411 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . -89.89 148.65 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.458 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 1.6 p-10 42.12 82.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.223 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.89 117.72 2.98 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.407 1.067 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 1.016 ' OH ' HG23 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -122.0 127.54 50.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 111.052 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.626 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 2.3 tt0 -80.17 133.34 36.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 1.016 HG23 ' OH ' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -122.31 136.44 59.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.551 ' CD2' ' OD2' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -110.64 99.23 8.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -73.78 124.85 26.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.105 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.718 ' HE2' HD21 ' A' ' 15' ' ' LEU . 18.6 m-85 -80.17 -54.0 6.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 111.022 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.51 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . -39.01 -56.15 2.23 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.491 1.119 . . . . 0.0 111.058 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.687 HG23 ' OH ' ' A' ' 23' ' ' TYR . 41.7 p -82.41 -26.99 32.28 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.459 0.741 . . . . 0.0 110.381 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.4 t60 73.57 38.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 109.674 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -138.66 161.41 37.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -94.37 164.55 12.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.418 1.073 . . . . 0.0 110.456 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.442 ' N ' ' CG2' ' A' ' 55' ' ' THR . . . -159.89 -179.86 8.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.559 ' O ' HD23 ' A' ' 58' ' ' LEU . 28.4 p90 -118.07 109.84 16.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 57' ' ' PHE . 83.8 mt -135.95 179.82 6.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.614 1.197 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.62 -157.17 9.84 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.515 1.134 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -41.52 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -58.72 -45.9 88.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.516 ' CG ' HD22 ' A' ' 58' ' ' LEU . 2.3 m-20 -59.32 -15.88 18.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.232 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.765 ' CD1' ' HB2' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -106.66 137.25 45.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.451 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -130.67 144.26 52.7 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.406 ' O ' ' HB3' ' A' ' 69' ' ' SER . 18.6 Cg_endo -75.0 155.65 42.92 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.526 1.803 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.612 ' CE2' ' CD ' ' A' ' 70' ' ' LYS . 7.2 t80 -77.84 -37.39 48.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -54.99 -50.62 68.55 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.491 1.119 . . . . 0.0 110.259 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -45.94 72.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 110.209 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.472 ' HB2' ' CA ' ' A' ' 74' ' ' GLY . 1.2 p -58.23 -49.51 76.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.972 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.612 ' CD ' ' CE2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -67.16 -17.78 65.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.132 . . . . 0.0 109.236 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -69.66 -43.76 71.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -106.98 -69.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.363 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 69' ' ' SER . 6.7 m-85 -132.95 -86.05 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.472 ' CA ' ' HB2' ' A' ' 69' ' ' SER . . . 70.22 11.02 66.84 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.387 1.054 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -112.94 94.58 30.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.551 0.794 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.47 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.3 Cg_endo -74.84 175.2 11.49 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.421 1.748 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.538 ' H ' ' ND2' ' A' ' 77' ' ' ASN . 3.0 m-80 -49.29 133.87 19.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.56 ' HD3' ' CE1' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -87.59 90.91 8.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.46 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 10.1 mmt180 -101.36 -175.4 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.248 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.43 -44.06 75.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.62 -8.91 77.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.403 1.065 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.624 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 3.2 t80 -82.25 -47.76 12.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 22.9 t -66.98 -54.11 25.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.64 -30.28 68.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.226 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.546 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -66.66 -57.08 10.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.794 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.23 -27.39 63.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.584 0.814 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.591 ' CD1' ' CG ' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -86.46 -21.93 26.76 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.517 1.136 . . . . 0.0 108.031 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.69 -23.5 61.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 110.365 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.56 ' HB ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -99.63 -41.14 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.356 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.416 ' N ' HD13 ' A' ' 89' ' ' ILE . 2.6 mt-10 -77.65 -28.02 51.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.563 1.165 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.591 ' CG ' ' CD1' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -134.0 58.66 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 95' ' ' VAL . 20.0 p30 -63.94 156.28 74.32 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.239 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.86 -20.19 17.47 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.565 1.824 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.681 HG23 ' O ' ' A' ' 94' ' ' THR . 13.3 t -138.61 92.03 2.59 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.496 1.123 . . . . 0.0 110.459 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.453 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 7.4 p -94.15 142.76 12.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.215 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -111.43 -39.52 4.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 109.274 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.35 166.94 3.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.401 1.063 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.4 m -150.47 138.41 20.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 137.05 -114.04 1.09 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.41 1.068 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.651 ' N ' ' CD1' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.458 0.17 . . . . 0.0 111.045 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.42 157.25 30.95 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.131 . . . . 0.0 109.958 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -94.86 167.73 11.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.83 129.15 56.65 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.477 1.111 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -113.31 -174.25 2.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.412 1.07 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.496 ' NE ' ' OD2' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -95.55 -179.73 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.46 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -102.99 -63.73 1.14 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 110.25 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.491 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -125.89 -37.04 2.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 0.0 109.23 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.491 ' N ' ' CD ' ' A' ' 8' ' ' LYS . 1.6 pp20? -64.12 113.04 3.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.257 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.479 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 3.6 p90 -134.18 129.94 36.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 12' ' ' CYS . 4.3 mtpp -134.43 -179.55 5.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 11' ' ' LYS . 34.7 t -41.43 144.32 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 108.36 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.23 -0.37 75.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.571 1.169 . . . . 0.0 111.003 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.496 ' OD2' ' NE ' ' A' ' 6' ' ' ARG . 10.6 t0 -93.8 139.52 30.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.395 0.703 . . . . 0.0 109.236 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.622 HD13 ' O ' ' A' ' 28' ' ' ALA . 0.3 OUTLIER -113.94 135.85 53.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.611 1.194 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -154.96 178.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.604 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -91.44 109.78 21.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.48 1.113 . . . . 0.0 111.057 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.698 ' HB2' HD21 ' A' ' 63' ' ' LEU . . . -94.42 137.39 33.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.653 1.221 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -123.75 140.52 52.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.136 . . . . 0.0 109.239 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.458 ' O ' ' O ' ' A' ' 23' ' ' TYR . 2.2 ttt -130.34 155.86 45.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -56.71 126.9 28.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.598 1.186 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.64 -16.06 32.91 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.529 ' CE2' ' CE3' ' A' ' 26' ' ' TRP . 2.7 t80 -115.78 130.23 24.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.446 0.733 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.29 29.49 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.604 ' CD2' ' HB3' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -40.48 130.87 2.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.696 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.715 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.4 OUTLIER -140.25 143.27 32.9 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.715 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.5 Cg_endo -75.02 109.65 2.97 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.411 1.743 . . . . 0.0 111.096 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.622 ' O ' HD13 ' A' ' 15' ' ' LEU . . . -130.02 156.53 44.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.595 1.184 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.478 ' HA ' HD13 ' A' ' 15' ' ' LEU . 1.5 ptt180 -97.06 158.31 15.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.632 HD13 ' H ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -92.01 144.05 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.632 ' H ' HD13 ' A' ' 30' ' ' ILE . 54.2 m-20 -155.78 149.54 25.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -97.49 152.44 18.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 110.358 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -74.18 113.49 24.06 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 167.81 26.22 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.382 1.727 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -125.98 31.49 5.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 37' ' ' ALA . . . -89.21 -98.09 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 36' ' ' ALA . . . -39.57 -47.45 1.92 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.594 1.184 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.1 m -131.4 177.04 7.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.17 144.91 34.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.3 t -86.46 147.36 26.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.022 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.6 p -115.66 137.65 51.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.44 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.41 173.41 8.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 59.58 44.9 13.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 109.344 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.06 150.95 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.379 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.46 ' HD2' ' HH ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -129.79 132.25 46.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 31' ' ' ASP . 22.9 tt0 -78.87 139.24 38.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 55' ' ' THR . 3.3 t -131.43 132.49 62.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.584 ' CE1' ' HB ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -107.48 110.3 22.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.978 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.418 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 2.9 m-85 -78.9 124.51 28.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.601 1.188 . . . . 0.0 111.071 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.429 ' HE2' HD11 ' A' ' 15' ' ' LEU . 20.2 m-85 -82.95 -12.12 57.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 111.085 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.533 ' HA3' ' NE1' ' A' ' 26' ' ' TRP . . . -72.51 -57.74 5.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.1 p -90.96 -15.9 28.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 74.6 38.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.087 . . . . 0.0 109.604 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -139.53 156.17 47.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.584 ' HB ' ' CE1' ' A' ' 48' ' ' PHE . 4.9 t -102.94 141.89 34.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.47 1.106 . . . . 0.0 110.437 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.99 159.09 42.96 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.414 1.071 . . . . 0.0 109.366 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.515 ' CG ' ' O ' ' A' ' 57' ' ' PHE . 4.2 p90 -74.92 126.01 30.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.625 1.203 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.763 HD23 ' HB3' ' A' ' 62' ' ' ASP . 4.0 mp -152.25 177.58 10.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -132.76 -162.42 10.25 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.444 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.1 Cg_endo -75.05 -31.51 6.08 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.519 1.8 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -46.46 73.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.763 ' HB3' HD23 ' A' ' 58' ' ' LEU . 2.6 m-20 -66.76 -12.31 58.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.698 HD21 ' HB2' ' A' ' 18' ' ' ALA . 15.5 mt -108.77 116.49 32.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -108.03 148.98 38.52 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.408 ' O ' ' HB3' ' A' ' 69' ' ' SER . 18.2 Cg_endo -75.05 164.65 32.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.511 1.795 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.514 ' CE2' ' HD2' ' A' ' 70' ' ' LYS . 9.3 t80 -81.72 -39.04 24.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -53.19 -51.28 62.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.608 1.193 . . . . 0.0 110.28 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.12 -34.45 76.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.404 1.065 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.468 ' HB2' ' CA ' ' A' ' 74' ' ' GLY . 1.6 p -64.32 -51.98 60.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.445 1.09 . . . . 0.0 109.997 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.514 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 2.1 pttm -68.77 -13.73 62.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.64 -44.2 57.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -106.53 -69.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' SER . 3.2 m-85 -133.12 -84.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.468 ' CA ' ' HB2' ' A' ' 69' ' ' SER . . . 71.6 4.88 59.02 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.433 1.083 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -113.08 95.24 33.85 Favored Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.547 0.793 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.574 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 18.0 Cg_endo -74.98 174.97 11.86 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.439 1.757 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.657 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 25.4 m-80 -49.47 119.04 3.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.478 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -71.52 75.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.466 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 14.7 mmt180 -89.68 -174.8 4.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -65.42 -67.26 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.06 -13.3 26.68 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.496 1.123 . . . . 0.0 110.938 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.657 ' CD2' ' O ' ' A' ' 77' ' ' ASN . 0.4 OUTLIER -75.99 -36.95 59.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 0.795 . . . . 0.0 111.056 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 40.4 t -74.64 -57.64 3.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.04 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 4.7 pt-20 -57.79 -36.06 71.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.098 . . . . 0.0 110.28 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.564 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -67.57 -52.71 28.56 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.989 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -61.21 -29.57 69.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 0.727 . . . . 0.0 109.288 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.572 ' CD1' ' ND2' ' A' ' 91' ' ' ASN . 0.2 OUTLIER -86.59 -22.38 26.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 0.0 107.964 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -68.16 -27.95 66.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.362 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.775 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -95.79 -43.52 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.642 ' N ' HD13 ' A' ' 89' ' ' ILE . 15.8 mm-40 -70.81 -36.2 72.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.213 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.572 ' ND2' ' CD1' ' A' ' 87' ' ' TRP . 0.2 OUTLIER -133.51 72.92 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.754 HD21 HG23 ' A' ' 95' ' ' VAL . 16.9 p-10 -78.57 149.04 74.36 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -29.34 8.37 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 111.048 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 50.7 m -119.09 90.42 3.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.448 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.754 HG23 HD21 ' A' ' 92' ' ' ASN . 1.4 p -99.91 -172.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.652 ' H ' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -175.34 -42.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.52 82.56 7.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.6 m -49.16 144.24 5.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.594 1.184 . . . . 0.0 109.96 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 168.19 94.68 0.1 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.428 1.08 . . . . 0.0 111.036 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.619 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.419 0.717 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.451 0.167 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.89 157.79 27.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.926 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.33 156.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.374 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.4 p -98.07 113.89 25.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.436 ' O ' ' ND2' ' A' ' 5' ' ' ASN . 2.0 p-10 -116.66 132.72 56.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.381 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.475 ' CG ' ' HB3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -57.71 -175.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.223 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.731 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 1.5 pm0 -116.25 -43.07 2.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.503 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -62.05 -10.66 10.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.475 ' HB3' ' CG ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -53.84 -172.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.227 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 8.1 p90 -147.54 142.17 26.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 14' ' ' ASP . 1.9 mtpp -141.11 -179.86 6.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.336 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.463 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 31.1 p -48.62 143.96 4.69 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.461 1.101 . . . . 0.0 108.301 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.47 -0.41 85.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.555 1.159 . . . . 0.0 111.096 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 15.5 t70 -77.41 152.05 34.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 109.225 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.631 HD13 ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -116.95 127.18 53.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.741 HG23 HD22 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -146.55 176.81 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.642 1.214 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.609 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -93.3 109.81 21.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.556 ' HB2' HD21 ' A' ' 63' ' ' LEU . . . -93.44 130.41 39.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.5 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 3.3 tttm -115.22 141.07 48.52 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.483 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -130.31 153.67 48.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.067 . . . . 0.0 110.98 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -56.1 124.75 18.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.68 -20.97 24.96 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.692 ' CE2' ' CD2' ' A' ' 26' ' ' TRP . 2.5 t80 -113.59 133.85 22.12 Favored Pre-proline 0 C--N 1.328 -0.361 0 O-C-N 124.473 0.749 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.41 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 18.2 Cg_endo -74.98 170.24 20.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.52 1.8 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.609 ' CD2' ' HB3' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -45.12 124.43 4.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.639 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.702 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.4 OUTLIER -129.4 144.11 51.54 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.583 1.177 . . . . 0.0 108.024 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.702 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.3 Cg_endo -74.94 109.32 2.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.518 1.799 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.631 ' O ' HD13 ' A' ' 15' ' ' LEU . . . -130.1 162.09 29.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.483 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 9.0 ttt180 -102.17 154.63 18.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.586 1.179 . . . . 0.0 110.361 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.783 HD11 ' CE2' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -82.49 149.41 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.479 ' H ' HD13 ' A' ' 30' ' ' ILE . 12.8 m-20 -158.9 153.03 23.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -113.54 155.65 25.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.436 ' CE ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -73.21 118.84 72.08 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.464 1.102 . . . . 0.0 111.01 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 176.46 9.88 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 14.6 pt-20 -83.93 46.64 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.8 -54.0 2.36 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.574 1.171 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.65 -28.99 30.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.509 HG21 ' HB2' ' A' ' 42' ' ' ALA . 34.7 m -141.53 178.03 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.593 1.183 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -48.14 -79.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 41' ' ' THR . 1.1 p -146.1 -62.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 109.981 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.466 ' N ' ' OG ' ' A' ' 40' ' ' SER . 4.2 p -103.29 128.91 50.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 110.35 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.509 ' HB2' HG21 ' A' ' 38' ' ' VAL . . . -103.76 177.56 4.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.401 ' ND2' ' N ' ' A' ' 44' ' ' LYS . 1.3 p-10 -87.33 -35.87 18.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.436 ' O ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -92.67 156.0 17.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.783 ' CE2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -98.75 147.64 24.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.434 ' N ' ' HE1' ' A' ' 33' ' ' MET . 18.4 tt0 -96.52 138.41 34.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.464 HG22 HD11 ' A' ' 63' ' ' LEU . 5.6 t -134.0 141.02 45.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.606 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -113.51 103.19 11.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.95 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.525 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 5.2 m-85 -72.4 117.85 14.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.399 1.062 . . . . 0.0 110.946 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.605 ' HE2' HD21 ' A' ' 15' ' ' LEU . 25.6 m-85 -73.15 -32.14 64.7 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.455 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . -56.73 -56.79 22.9 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.556 1.16 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.6 p -90.54 -22.76 21.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 0.738 . . . . 0.0 110.392 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER 73.95 38.82 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 109.585 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -129.24 151.75 49.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.606 ' OG1' ' CD1' ' A' ' 48' ' ' PHE . 4.9 m -95.56 112.25 24.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.414 1.071 . . . . 0.0 110.442 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -114.92 137.05 52.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 0.0 109.325 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.562 ' CG ' ' O ' ' A' ' 57' ' ' PHE . 7.2 p90 -72.8 121.53 20.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.972 HD22 ' CG ' ' A' ' 62' ' ' ASP . 31.6 mt -145.12 177.62 8.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.239 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.38 -160.65 10.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.399 1.062 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 63' ' ' LEU . 18.2 Cg_endo -74.98 -27.69 9.83 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -33.52 70.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.972 ' CG ' HD22 ' A' ' 58' ' ' LEU . 1.3 m-20 -83.18 -7.06 59.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.741 HD22 HG23 ' A' ' 16' ' ' VAL . 10.8 mt -117.13 116.5 27.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 2.3 m-85 -113.14 136.11 21.77 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.379 1.05 . . . . 0.0 111.038 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 64' ' ' PHE . 18.5 Cg_endo -74.92 154.97 43.3 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.511 1.795 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.414 ' CZ ' ' HD2' ' A' ' 70' ' ' LYS . 9.0 t80 -56.79 -37.98 71.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -49.58 76.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.445 1.091 . . . . 0.0 110.323 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.61 -46.11 55.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 74' ' ' GLY . 0.2 OUTLIER -54.27 -50.42 67.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.414 ' HD2' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -65.17 -27.22 68.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -59.47 -39.97 85.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -98.67 -67.69 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.259 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -132.53 -63.82 0.78 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.494 1.121 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 73.08 0.49 52.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.435 1.084 . . . . 0.0 111.033 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.77 97.36 17.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.347 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.554 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 18.2 Cg_endo -74.95 174.92 11.93 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.783 . . . . 0.0 111.026 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.636 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 0.9 OUTLIER -49.1 120.8 4.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.595 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -72.54 75.04 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.342 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.409 ' N ' ' HB3' ' A' ' 82' ' ' PHE . 19.7 mmt180 -88.22 -175.99 5.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -70.78 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.35 -13.9 11.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.636 ' CD2' ' O ' ' A' ' 77' ' ' ASN . 0.2 OUTLIER -77.81 -33.38 52.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 110.933 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.8 t -77.81 -58.97 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.0 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' A' ' 88' ' ' GLU . 3.1 pt-20 -55.56 -38.36 69.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.39 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.815 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -65.06 -62.06 5.26 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.797 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -50.58 -30.96 14.48 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.421 0.718 . . . . 0.0 109.315 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.612 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -87.39 -27.16 22.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 107.964 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 84' ' ' GLU . 2.0 tm-20 -73.47 -19.58 60.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.088 . . . . 0.0 110.334 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.815 HG22 ' O ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -101.73 -39.65 6.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.465 ' OE1' HD21 ' A' ' 86' ' ' LEU . 17.3 mt-10 -82.57 -25.95 32.82 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.593 HD22 ' N ' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -134.02 66.11 1.56 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -64.75 148.36 97.2 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -30.27 7.32 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.442 1.759 . . . . 0.0 111.059 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.5 m -137.82 84.34 2.04 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.448 1.092 . . . . 0.0 110.333 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.401 HG12 ' H ' ' A' ' 95' ' ' VAL . 3.4 p -67.82 109.17 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 97' ' ' ALA . 0.2 OUTLIER -76.91 -32.59 57.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.355 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.431 ' N ' ' HG3' ' A' ' 96' ' ' LYS . . . -150.86 153.71 35.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -52.53 27.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 124.81 -93.71 0.45 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.609 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.427 0.156 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -127.21 167.26 16.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.048 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.57 165.6 12.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.382 1.051 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.64 111.04 20.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.002 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -117.14 159.32 22.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -72.99 -178.68 2.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.478 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -100.5 -81.8 0.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.46 1.1 . . . . 0.0 110.216 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.33 -29.66 5.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 1.2 pt-20 -114.21 -175.72 2.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.617 1.198 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.474 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 11.9 p90 -147.33 115.85 6.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -97.21 173.78 7.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.5 t -52.39 148.14 7.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 108.304 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.97 -10.21 71.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -72.04 149.97 44.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 0.79 . . . . 0.0 109.403 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.622 HD23 ' HA ' ' A' ' 29' ' ' ARG . 0.5 OUTLIER -120.75 131.23 54.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.689 HG13 ' N ' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -150.66 179.84 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.689 ' N ' HG13 ' A' ' 16' ' ' VAL . 23.5 m-85 -91.87 110.7 22.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.84 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -94.82 151.56 19.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.7 137.75 53.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.475 ' O ' ' O ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -124.65 149.11 47.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.528 1.142 . . . . 0.0 110.952 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.85 120.51 8.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.391 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.18 -20.0 46.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.53 ' OH ' ' CE2' ' A' ' 26' ' ' TRP . 0.7 OUTLIER -117.37 133.73 23.19 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.433 0.725 . . . . 0.0 110.977 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 25' ' ' HIS . 18.3 Cg_endo -75.02 173.59 14.24 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.48 1.779 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.514 ' O ' ' CG ' ' A' ' 76' ' ' PRO . 0.1 OUTLIER -39.52 128.96 1.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.59 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.672 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 0.8 OUTLIER -138.06 152.57 72.18 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 108.05 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.672 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.1 Cg_endo -75.02 103.65 1.77 Allowed 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.591 1.837 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -126.51 143.76 51.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.622 ' HA ' HD23 ' A' ' 15' ' ' LEU . 6.9 ttp180 -91.77 160.27 15.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.808 HD13 ' H ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -89.55 144.05 9.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.808 ' H ' HD13 ' A' ' 30' ' ' ILE . 9.3 m-20 -155.21 145.82 22.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -96.8 170.94 8.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 110.401 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.95 114.03 28.81 Favored Pre-proline 0 C--N 1.323 -0.552 0 O-C-N 124.572 1.17 . . . . 0.0 111.059 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 170.48 20.32 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.454 1.765 . . . . 0.0 110.936 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -148.01 34.64 0.83 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.71 -86.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.077 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.43 14.71 30.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.602 1.189 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.663 HG22 ' H ' ' A' ' 39' ' ' LYS . 5.5 p -143.53 177.55 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.408 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.663 ' H ' HG22 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -109.16 -176.72 3.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.419 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.5 p -123.89 164.51 19.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.493 HG22 ' N ' ' A' ' 42' ' ' ALA . 93.0 m -117.76 173.86 6.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 110.465 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.493 ' N ' HG22 ' A' ' 41' ' ' THR . . . -100.31 158.63 15.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' ALA . 5.5 p30 40.44 72.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.35 145.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.54 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -126.34 152.29 46.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.83 ' OE1' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -91.75 128.82 37.73 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.484 HG11 HD12 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -129.88 118.79 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -97.22 110.6 23.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.059 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -83.75 120.5 26.1 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.492 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 9.1 m-85 -78.36 -31.52 48.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 111.072 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.546 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . -57.32 -56.96 22.29 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 p -82.59 -19.86 37.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 0.792 . . . . 0.0 110.391 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.4 t60 70.38 38.29 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.629 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -140.07 163.15 33.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.223 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.83 HG23 ' OE1' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -96.33 120.3 36.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.338 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -118.75 134.77 54.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.604 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 54.5 p90 -77.59 112.69 14.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.787 HD13 ' HB3' ' A' ' 62' ' ' ASP . 19.6 mt -133.26 177.62 7.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.56 1.162 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.76 -156.12 10.06 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.475 1.11 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 63' ' ' LEU . 17.9 Cg_endo -75.1 -44.62 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.779 . . . . 0.0 111.026 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -49.77 74.53 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.488 1.117 . . . . 0.0 109.229 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.787 ' HB3' HD13 ' A' ' 58' ' ' LEU . 1.6 m-20 -55.06 -21.58 13.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.378 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.84 ' CD1' ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -101.3 126.88 48.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.65 137.22 29.3 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.566 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 18.1 Cg_endo -75.05 173.9 13.71 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.504 1.792 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -73.95 -37.73 64.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -52.54 -50.43 62.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -47.48 52.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.357 1.036 . . . . 0.0 110.274 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 74' ' ' GLY . 4.7 p -55.84 -48.13 76.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -22.55 65.1 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -63.04 -42.54 99.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -97.65 -67.49 0.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.397 1.06 . . . . 0.0 109.38 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -132.75 -66.7 0.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 76.8 -2.44 59.51 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -123.58 96.18 43.86 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.605 0.826 . . . . 0.0 109.344 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.514 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 18.4 Cg_endo -74.95 174.97 11.85 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.479 1.778 . . . . 0.0 111.06 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.563 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 1.0 OUTLIER -52.3 131.7 33.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.51 ' HG2' ' CE1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -84.84 85.41 7.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.405 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 27.0 mmt85 -97.7 -174.9 3.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 0.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -43.23 79.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.602 1.189 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.57 -7.93 85.79 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.603 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 2.5 t80 -82.68 -48.64 10.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 0.73 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 0.1 OUTLIER -67.2 -51.95 47.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 88' ' ' GLU . 5.4 pt-20 -69.5 -36.16 76.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.223 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.61 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -63.5 -53.57 37.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.47 1.106 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.777 ' C ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -59.65 -28.2 67.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 0.767 . . . . 0.0 109.37 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.532 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -86.62 -20.84 27.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 107.989 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 84' ' ' GLU . 4.9 mt-10 -73.64 -22.88 59.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.788 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -100.15 -42.32 10.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.432 1.082 . . . . 0.0 109.24 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.619 ' N ' HD13 ' A' ' 89' ' ' ILE . 3.9 mt-10 -76.72 -31.62 57.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.211 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.52 ' ND2' ' N ' ' A' ' 91' ' ' ASN . 0.4 OUTLIER -133.13 72.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.227 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -76.13 132.56 73.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -55.37 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.514 1.797 . . . . 0.0 111.041 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.412 ' O ' HG22 ' A' ' 94' ' ' THR . 16.3 m -139.49 70.61 1.37 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.161 . . . . 0.0 110.47 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 97' ' ' ALA . 2.8 p -53.35 100.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -62.01 -32.08 72.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.527 ' HB3' HH22 ' A' ' 29' ' ' ARG . . . -71.47 154.62 41.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.9 p -55.13 136.44 48.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.94 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -77.63 -145.74 2.42 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.455 1.097 . . . . 0.0 111.066 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.622 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.443 0.731 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.505 0.193 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 p -174.42 157.62 2.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.2 ptt-85 -81.41 163.17 22.99 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.397 1.061 . . . . 0.0 110.348 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.3 p -102.9 153.76 19.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.477 1.11 . . . . 0.0 109.974 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -73.46 150.75 41.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.377 1.048 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.436 ' HB2' ' HB2' ' A' ' 9' ' ' GLU . 1.9 ptp180 -99.56 -180.0 4.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.607 1.192 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.616 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 2.0 pm0 -100.93 -115.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.516 ' C ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -82.83 15.74 2.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.436 ' HB2' ' HB2' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -54.57 132.59 45.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.414 1.071 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.415 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 1.6 p90 -146.98 163.2 36.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.04 164.94 34.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.8 t -42.2 119.47 1.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 108.256 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 112.02 -8.08 27.3 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.44 1.088 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -78.67 122.71 26.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 0.736 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.692 ' O ' HG13 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -99.86 141.96 31.98 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.692 HG13 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -164.07 177.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 109.324 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.583 ' O ' ' CE1' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -93.1 109.36 20.84 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.812 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . . . -109.62 128.73 55.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.474 ' CB ' ' HA ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -107.45 161.54 14.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.16 162.79 30.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.33 118.13 5.2 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 0.0 109.382 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.3 -15.56 49.21 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 111.048 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.585 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 2.2 t80 -109.52 135.46 20.33 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.439 0.729 . . . . 0.0 111.043 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.585 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 18.6 Cg_endo -74.96 155.88 43.16 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.583 1.833 . . . . 0.0 111.019 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.583 ' CE1' ' O ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -40.91 117.31 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.565 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.616 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -121.34 157.06 57.02 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.497 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 18.6 Cg_endo -74.98 103.64 1.76 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.541 1.811 . . . . 0.0 111.073 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.812 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -123.91 151.4 43.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.599 1.187 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.53 ' HB3' HD21 ' A' ' 15' ' ' LEU . 12.6 ptt180 -104.28 150.41 24.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.44 147.95 9.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 109.235 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -160.91 147.51 15.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.12 171.96 7.06 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 110.246 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.544 ' CE ' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER -73.1 132.63 82.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 111.092 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 173.83 13.79 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 111.032 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -150.92 20.99 0.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.356 1.035 . . . . 0.0 110.364 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.34 -75.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.59 -57.14 13.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.1 m -136.16 148.72 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.385 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' N ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -101.49 80.68 2.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.609 1.193 . . . . 0.0 109.26 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.0 95.71 5.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.593 1.183 . . . . 0.0 109.983 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.544 HG22 ' CE ' ' A' ' 33' ' ' MET . 70.4 p -78.07 121.14 23.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.508 ' HB3' ' CE ' ' A' ' 44' ' ' LYS . . . -104.66 151.29 23.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -86.88 54.08 3.05 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.544 1.153 . . . . 0.0 109.38 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.508 ' CE ' ' HB3' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -153.84 178.22 10.14 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.998 ' OH ' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -109.86 126.74 54.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.485 ' OE1' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -73.77 108.09 6.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.998 HG23 ' OH ' ' A' ' 45' ' ' TYR . 12.2 p -94.35 140.05 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.49 ' HB3' ' CG ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -121.75 98.23 5.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 0.0 110.933 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -74.94 126.12 30.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 110.955 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.585 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 2.2 m-85 -87.73 -55.07 3.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 111.069 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -39.25 -52.45 2.8 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.457 1.098 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.505 ' CG2' ' OH ' ' A' ' 23' ' ' TYR . 47.9 p -84.56 -26.38 28.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 0.783 . . . . 0.0 110.432 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 74.06 38.43 0.56 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.545 1.153 . . . . 0.0 109.6 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -133.28 164.1 27.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.485 HG23 ' OE1' ' A' ' 46' ' ' GLN . 0.6 OUTLIER -105.71 161.32 14.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.551 ' C ' HG12 ' A' ' 47' ' ' VAL . . . -163.05 -179.66 6.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.455 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 2.6 p90 -122.65 103.76 8.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.937 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.961 HD22 ' CG ' ' A' ' 62' ' ' ASP . 67.4 mt -126.84 178.39 5.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.634 1.209 . . . . 0.0 109.308 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.32 -161.43 11.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -26.59 10.73 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.476 1.777 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -16.72 60.85 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.961 ' CG ' HD22 ' A' ' 58' ' ' LEU . 1.2 m-20 -102.48 5.58 39.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 109.378 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.72 ' CD2' ' HB2' ' A' ' 18' ' ' ALA . 5.0 mt -128.88 126.19 39.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.423 ' CD2' ' HD2' ' A' ' 65' ' ' PRO . 0.2 OUTLIER -124.96 144.64 47.6 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.91 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.423 ' HD2' ' CD2' ' A' ' 64' ' ' PHE . 18.5 Cg_endo -74.92 167.31 27.36 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -79.78 -39.73 30.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.37 -51.33 59.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.519 1.137 . . . . 0.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.59 -47.76 30.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.246 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 73' ' ' PHE . 9.9 m -53.74 -45.83 70.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.929 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -20.2 60.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -60.54 -44.79 95.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.49 ' HE2' ' CD1' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -103.15 -66.66 0.92 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.49 ' CD1' ' HE2' ' A' ' 72' ' ' LYS . 1.4 m-85 -132.09 -82.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.071 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.78 9.5 62.59 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.505 1.128 . . . . 0.0 111.075 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -114.66 94.76 38.21 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 109.229 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 174.86 12.06 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.459 1.768 . . . . 0.0 111.079 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.582 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 0.9 OUTLIER -49.72 127.48 16.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.456 1.097 . . . . 0.0 109.363 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.568 ' HD2' ' CZ ' ' A' ' 82' ' ' PHE . 2.5 mptp? -78.84 86.29 4.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.611 1.194 . . . . 0.0 109.267 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.553 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 13.5 mmt85 -100.96 -174.86 2.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 110.254 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.56 -53.56 22.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.403 1.064 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.69 -5.29 50.51 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.56 1.163 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.616 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 1.8 t80 -81.81 -48.5 11.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 111.054 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.588 ' O ' HD13 ' A' ' 86' ' ' LEU . 30.4 t -68.52 -54.53 16.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.505 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 4.6 pt-20 -70.31 -9.25 55.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.352 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.588 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -82.05 -64.14 1.75 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.509 1.131 . . . . 0.0 110.927 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.807 ' C ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.68 -23.93 60.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 0.789 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.695 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -86.22 -28.87 23.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 108.009 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 1.2 mm-40 -66.75 -24.01 66.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.668 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -100.17 -43.67 11.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.613 ' N ' HD13 ' A' ' 89' ' ' ILE . 1.4 mm-40 -69.85 -26.4 64.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.07 . . . . 0.0 110.332 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.555 ' ND2' ' CD1' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -133.5 61.68 1.67 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.44 HD21 HG23 ' A' ' 95' ' ' VAL . 9.2 p-10 -70.97 156.7 91.69 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -37.8 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 111.065 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 86.0 m -113.94 89.2 3.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.599 1.187 . . . . 0.0 110.321 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.729 HG22 ' H ' ' A' ' 96' ' ' LYS . 2.7 p -94.27 -174.62 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.228 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.729 ' H ' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -174.14 -39.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 109.305 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -114.92 81.73 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.236 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.95 -62.95 1.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.582 1.176 . . . . 0.0 109.98 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.67 112.66 3.24 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.612 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.457 0.17 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.6 p -164.27 159.78 20.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.965 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.408 ' N ' ' HD2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -38.74 149.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.4 t -112.04 163.45 14.26 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.483 1.114 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -75.71 179.31 5.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.48 ' CD ' ' HB3' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -86.26 -179.9 6.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.507 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 1.5 pm0 -116.32 -43.74 2.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.439 ' HD3' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -142.11 -39.87 0.36 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.439 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 3.9 pt-20 -119.47 140.74 49.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.637 1.211 . . . . 0.0 110.259 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.48 ' HB3' ' CD ' ' A' ' 6' ' ' ARG . 27.6 p90 -115.35 111.57 21.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' CYS . 2.4 ptmt -121.6 -179.95 4.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.45 ' HA ' HG23 ' A' ' 30' ' ' ILE . 4.7 t -41.59 135.96 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 108.349 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.9 1.2 59.95 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.1 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -102.77 127.54 49.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.859 HD22 ' H ' ' A' ' 16' ' ' VAL . 0.9 OUTLIER -97.99 141.72 30.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.859 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -159.95 179.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -90.76 108.89 20.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.589 1.181 . . . . 0.0 110.925 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.92 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . . . -113.33 128.29 56.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.553 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -108.24 163.02 13.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.341 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -132.27 163.59 28.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.65 118.0 4.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.72 -19.12 26.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.605 1.19 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.634 ' OH ' HG23 ' A' ' 52' ' ' THR . 1.4 t80 -103.0 134.48 19.77 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.581 0.813 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.573 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 18.2 Cg_endo -75.05 157.45 42.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.398 1.736 . . . . 0.0 110.981 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -42.33 111.58 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.671 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.617 ' CH2' ' HB2' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -117.24 158.71 43.89 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 107.92 -179.904 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.456 ' HB2' HG21 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.06 103.13 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.79 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.92 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . . . -122.04 152.02 40.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.09 137.16 43.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.805 HD11 ' CD2' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -63.24 142.13 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.585 1.178 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.458 ' H ' HD13 ' A' ' 30' ' ' ILE . 0.7 OUTLIER -150.45 148.88 29.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -107.58 143.0 36.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.612 1.195 . . . . 0.0 110.362 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.524 ' CG ' ' O ' ' A' ' 33' ' ' MET . 11.0 ptp -72.76 118.04 64.69 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.41 1.069 . . . . 0.0 110.959 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.91 11.96 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.616 1.85 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -131.21 36.81 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.251 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.88 -60.67 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.42 -44.25 95.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.571 1.169 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.544 HG22 ' N ' ' A' ' 39' ' ' LYS . 13.7 p -143.36 171.11 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.544 ' N ' HG22 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -109.2 111.36 22.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.5 t -121.4 177.53 5.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.118 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.4 p -118.95 179.83 4.04 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.71 127.7 42.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.9 p30 174.19 -34.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.449 ' HG3' ' CE ' ' A' ' 33' ' ' MET . 32.3 pttt -115.63 178.01 4.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.805 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -132.72 151.95 51.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.422 ' O ' ' O ' ' A' ' 31' ' ' ASP . 9.7 tt0 -96.93 134.21 40.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.8 t -125.93 130.76 72.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.234 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.592 ' CE1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -107.91 98.49 8.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.911 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -72.28 125.46 27.4 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.41 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 3.5 m-85 -88.46 -55.42 3.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 111.018 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.416 ' HA2' ' CA ' ' A' ' 85' ' ' GLY . . . -39.58 -36.85 0.75 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.634 HG23 ' OH ' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -104.06 -26.53 12.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 110.367 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 74.3 36.52 0.65 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.118 . . . . 0.0 109.619 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -127.35 163.4 24.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.592 ' OG1' ' CE1' ' A' ' 48' ' ' PHE . 18.1 m -120.09 135.57 54.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.485 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.82 169.21 17.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.098 . . . . 0.0 109.22 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.541 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 53.5 p90 -92.82 118.08 30.72 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.507 1.129 . . . . 0.0 111.04 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.873 HD22 ' CG ' ' A' ' 62' ' ' ASP . 19.0 mt -144.09 178.21 8.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.7 -166.39 11.75 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.419 1.074 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -17.71 19.44 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.78 -31.03 67.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.873 ' CG ' HD22 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -93.07 -0.38 57.1 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -109.06 135.71 49.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.344 1.027 . . . . 0.0 109.318 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.577 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -132.88 140.43 37.66 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 170.32 20.69 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.439 1.758 . . . . 0.0 111.07 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.588 ' CE2' ' CD ' ' A' ' 70' ' ' LYS . 20.7 t80 -82.59 -42.03 18.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -52.02 -50.89 60.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.265 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.82 -32.93 74.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.389 1.055 . . . . 0.0 110.376 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.491 ' CB ' ' HA3' ' A' ' 74' ' ' GLY . 0.7 OUTLIER -67.61 -52.14 41.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.595 1.184 . . . . 0.0 110.041 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.588 ' CD ' ' CE2' ' A' ' 66' ' ' TYR . 0.4 OUTLIER -68.67 -11.73 60.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -45.54 33.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.367 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -106.23 -69.75 0.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.369 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 69' ' ' SER . 42.1 m-85 -133.37 -82.5 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.942 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.491 ' HA3' ' CB ' ' A' ' 69' ' ' SER . . . 70.8 25.59 75.47 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.92 93.9 22.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 109.209 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 174.92 11.94 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.454 1.765 . . . . 0.0 111.006 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.586 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 3.2 m-80 -49.34 138.93 12.25 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.541 ' HD2' ' CD1' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -89.93 88.7 7.42 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.473 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 6.4 mmt180 -100.22 -175.71 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -68.89 -47.03 66.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.593 1.183 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.78 -8.14 71.81 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.439 1.087 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.617 ' HB2' ' CH2' ' A' ' 26' ' ' TRP . 2.3 t80 -82.86 -44.12 15.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 0.79 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 87' ' ' TRP . 4.6 t -69.64 -56.1 8.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.622 1.201 . . . . 0.0 109.975 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 6.6 pt-20 -68.34 -25.87 65.32 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.441 1.088 . . . . 0.0 110.235 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.543 ' O ' HG22 ' A' ' 89' ' ' ILE . . . -72.61 -56.91 5.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.45 1.094 . . . . 0.0 111.069 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.864 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -57.56 -27.47 62.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 0.0 109.26 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.597 ' CD1' ' ND2' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -87.24 -23.55 24.69 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -69.2 -23.76 63.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.543 HG22 ' O ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -99.48 -41.66 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.207 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.504 ' N ' HD13 ' A' ' 89' ' ' ILE . 2.7 mm-40 -74.72 -27.24 60.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 110.251 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.597 ' ND2' ' CD1' ' A' ' 87' ' ' TRP . 0.3 OUTLIER -133.68 60.98 1.69 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -64.86 112.73 8.7 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.248 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -0.49 10.03 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.573 1.828 . . . . 0.0 111.06 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 94' ' ' THR . 9.0 t -133.68 88.74 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 110.361 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.706 HG22 ' H ' ' A' ' 96' ' ' LYS . 3.0 p -75.47 -177.75 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.406 1.066 . . . . 0.0 109.336 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.706 ' H ' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -172.12 -41.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.09 118.17 6.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 m -81.0 151.84 28.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.077 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -146.56 141.47 9.55 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.61 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 stop_ save_